N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0830 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 527.54 |
| Molecular Formula: | C27 H21 F4 N3 O2 S |
| Smiles: | Cn1c2c(C(C(NCc3ccc(cc3)F)=O)N(C(CS2)=O)c2cccc(c2)C(F)(F)F)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8948 |
| logD: | 4.8948 |
| logSw: | -4.8918 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.989 |
| InChI Key: | CFKHBMRMYJLERC-DEOSSOPVSA-N |