4-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
4-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0888 |
| Compound Name: | 4-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 508.01 |
| Molecular Formula: | C27 H23 Cl F N3 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(C(NCc2ccc(cc2)F)=O)c2c3ccccc3n(C)c2SCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2931 |
| logD: | 5.2931 |
| logSw: | -5.9204 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.989 |
| InChI Key: | QIJDKETWGSGXFP-RUZDIDTESA-N |