6-methyl-N-[(4-methylphenyl)methyl]-3-oxo-4-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-5-carboxamide
Chemical Structure Depiction of
6-methyl-N-[(4-methylphenyl)methyl]-3-oxo-4-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-5-carboxamide
6-methyl-N-[(4-methylphenyl)methyl]-3-oxo-4-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | C066-4970 |
| Compound Name: | 6-methyl-N-[(4-methylphenyl)methyl]-3-oxo-4-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-5-carboxamide |
| Molecular Weight: | 523.58 |
| Molecular Formula: | C28 H24 F3 N3 O2 S |
| Smiles: | Cc1ccc(CNC(C2c3c(c4ccccc4n3C)SCC(N2c2cccc(c2)C(F)(F)F)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2446 |
| logD: | 5.2446 |
| logSw: | -5.3103 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.256 |
| InChI Key: | FIKZBJGMQMUDGF-VWLOTQADSA-N |