5-[(4-chlorophenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(4-chlorophenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(4-chlorophenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-1295 |
| Compound Name: | 5-[(4-chlorophenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 454.98 |
| Molecular Formula: | C23 H23 Cl N4 O2 S |
| Smiles: | CSc1ccc(CNC(c2cc3C(N(CCCn3n2)Cc2ccc(cc2)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8068 |
| logD: | 3.8068 |
| logSw: | -4.3578 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.795 |
| InChI Key: | ZEZCAMUJAOMJSO-UHFFFAOYSA-N |