5-[(4-chlorophenyl)methyl]-N-cyclopentyl-3-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-[(4-chlorophenyl)methyl]-N-cyclopentyl-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
5-[(4-chlorophenyl)methyl]-N-cyclopentyl-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
Compound characteristics
| Compound ID: | G216-0848 |
| Compound Name: | 5-[(4-chlorophenyl)methyl]-N-cyclopentyl-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide |
| Molecular Weight: | 495.04 |
| Molecular Formula: | C26 H27 Cl N4 O2 S |
| Smiles: | Cc1c2C(C(NC3CCCC3)=O)N(Cc3ccc(cc3)[Cl])C(CSc2n(c2ccccc2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6061 |
| logD: | 4.6061 |
| logSw: | -4.8322 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.828 |
| InChI Key: | AEZZVUGLFHYKSM-XMMPIXPASA-N |