5-(3-chloro-4-methylphenyl)-3-methyl-N-[(4-methylphenyl)methyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
Chemical Structure Depiction of
5-(3-chloro-4-methylphenyl)-3-methyl-N-[(4-methylphenyl)methyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
5-(3-chloro-4-methylphenyl)-3-methyl-N-[(4-methylphenyl)methyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
Compound characteristics
| Compound ID: | G216-0772 |
| Compound Name: | 5-(3-chloro-4-methylphenyl)-3-methyl-N-[(4-methylphenyl)methyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide |
| Molecular Weight: | 531.08 |
| Molecular Formula: | C29 H27 Cl N4 O2 S |
| Smiles: | Cc1ccc(CNC(C2c3c(C)nn(c4ccccc4)c3SCC(N2c2ccc(C)c(c2)[Cl])=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4827 |
| logD: | 5.4827 |
| logSw: | -5.8993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.125 |
| InChI Key: | OYPZREHKVRKEFR-HHHXNRCGSA-N |