3-methyl-5-[2-(4-methylphenyl)ethyl]-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
3-methyl-5-[2-(4-methylphenyl)ethyl]-N-[(4-methylphenyl)methyl]-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
3-methyl-5-[2-(4-methylphenyl)ethyl]-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: | G216-0762 |
| Compound Name: | 3-methyl-5-[2-(4-methylphenyl)ethyl]-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: | 524.69 |
| Molecular Formula: | C31 H32 N4 O2 S |
| Smiles: | Cc1ccc(CCN2C(C(NCc3ccc(C)cc3)=O)c3c(C)nn(c4ccccc4)c3SCC2=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1854 |
| logD: | 5.1854 |
| logSw: | -5.0254 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.715 |
| InChI Key: | SQGYBWOOLXYOOS-LJAQVGFWSA-N |