5-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-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: | G216-0732 |
| Compound Name: | 5-[(4-fluorophenyl)methyl]-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: | 514.62 |
| Molecular Formula: | C29 H27 F N4 O2 S |
| Smiles: | Cc1ccc(CNC(C2c3c(C)nn(c4ccccc4)c3SCC(N2Cc2ccc(cc2)F)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3222 |
| logD: | 4.3222 |
| logSw: | -4.209 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.737 |
| InChI Key: | NWJMRDWBNFTESE-MHZLTWQESA-N |