- InChI
- InChI=1S/C22H26N2O4S/c1-14(12-23(4)15(2)25)13-24-17-8-6-7-9-21(17)29-22-11-20(28-16(3)26)19(27-5)10-18(22)24/h6-11,14H,12-13H2,1-5H3/t14-/m0/s1
- InChI Key
- MLIMTTXCSZHVJM-AWEZNQCLSA-N
- Formula
- C22H26N2O4S
- SMILES
-
COc1cc2c(cc1OC(C)=O)Sc1ccccc1N
2CC(C)CN(C)C(C)=O - Molecular Weight1
- 414.52
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.9266 | Relay (1.0) Calculated Property | |
| ΔfG° | -49.75 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -547.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 129.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.338 | Crippen Calculated Property | |
| McVol | 313.650 | ml/mol | McGowan Calculated Property |
| Pc | 1368.28 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3220.00 | NIST | |
| Tboil | 750.31 | K | Relay (1.0) Calculated Property |
| Tc | 1013.18 | K | Relay (1.0) Calculated Property |
| Tfus | 415.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.115 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Levomepromazine M (nor-HO-), diacetylated.
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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