5-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-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: | G216-0769 |
| Compound Name: | 5-(2,5-dimethylphenyl)-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: | 510.66 |
| Molecular Formula: | C30 H30 N4 O2 S |
| Smiles: | Cc1ccc(CNC(C2c3c(C)nn(c4ccccc4)c3SCC(N2c2cc(C)ccc2C)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2576 |
| logD: | 5.2576 |
| logSw: | -5.0989 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.824 |
| InChI Key: | NQIJJSIJCIACSG-NDEPHWFRSA-N |