- InChI
- InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2
- InChI Key
- DTVJXCOMJLLMAK-UHFFFAOYSA-N
- Formula
- C21H25N3O3S
- SMILES
-
O=C(OCCOCCN1CCCCC1)N1c2ccccc2S
c2cccnc21 - Molecular Weight1
- 399.51
- CAS
- 2167-85-3
- Other Names
-
- 10H-Pyrido[3,2-b][1,4]benzothiazine-10-carboxylic acid, 2-[2-(1-piperidinyl)ethoxy]ethyl ester
- 10H-Pyrido[3,2-b][1,4]benzothiazine-10-carboxylic acid, 2-(2-piperidinoethoxy)ethyl ester
- D 254
- Lenopect
- Pipazetate
- SKF 70230-A
- SQ 15,874
- Theratuss
- 2-(2-Piperidinoethoxy)ethyl 10H-pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
- 2-(2-Piperidinoethoxy)ethyl 10H-pyrido[3,2-b][1,4]benzothiadiazine-10-carboxylate
- SQ 15874
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9169 | Relay (1.0) Calculated Property | |
| ΔfG° | 148.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -275.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 131.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.323 | Crippen Calculated Property | |
| McVol | 297.110 | ml/mol | McGowan Calculated Property |
| Pc | 1637.81 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 767.45 | K | Relay (1.0) Calculated Property |
| Tc | 1063.44 | K | Relay (1.0) Calculated Property |
| Tfus | 396.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.079 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pipazethate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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