5-[2-(4-chlorophenyl)ethyl]-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-[2-(4-chlorophenyl)ethyl]-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-[2-(4-chlorophenyl)ethyl]-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: | G216-0746 |
| Compound Name: | 5-[2-(4-chlorophenyl)ethyl]-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: | 545.1 |
| Molecular Formula: | C30 H29 Cl N4 O2 S |
| Smiles: | Cc1ccc(CNC(C2c3c(C)nn(c4ccccc4)c3SCC(N2CCc2ccc(cc2)[Cl])=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3568 |
| logD: | 5.3568 |
| logSw: | -5.8498 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.715 |
| InChI Key: | NCHKYNURAVNVDW-MUUNZHRXSA-N |