- InChI
- InChI=1S/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2
- InChI Key
- MFZOSKPPVCIFMT-UHFFFAOYSA-N
- Formula
- C18H13ClN2O
- SMILES
-
C#CCN1C(=O)CN=C(c2ccccc2)c2cc(
Cl)ccc21 - Molecular Weight1
- 308.76
- CAS
- 52463-83-9
- Other Names
-
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-1-(2-propynyl)-
- Zami 905
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-propynyl)-
- 7-Chloro-1,3-dihydro-5-phenyl-1-(2-propynyl)-2H-1,4-benzodiazepin-2-one
- 7-Chloro-1-propargyl-5-phenyl-2H-1,4-benzodiazepin-2-one
- Domar
- Z-905
- Duna
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.157 | Crippen Calculated Property | |
| McVol | 226.970 | ml/mol | McGowan Calculated Property |
| Inp | [2529.00; 2580.00] |
|
|
| Inp | 2529.00 | NIST | |
| Inp | 2551.00 | NIST | |
| Inp | 2529.00 | NIST | |
| Inp | 2531.00 | NIST | |
| Inp | 2580.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Inp | 2551.00 | NIST | |
| Inp | 2529.00 | NIST | |
| Inp | 2551.00 | NIST | |
| Inp | 2529.00 | NIST | |
| Inp | 2580.00 | NIST | |
| Inp | 2572.00 | NIST |
Similar Compounds
Find more compounds similar to Pinazepam.
Sources
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