N-benzyl-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-benzyl-10-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
N-benzyl-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: | G202-0221 |
| Compound Name: | N-benzyl-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: | 509.55 |
| Molecular Formula: | C27 H22 F3 N3 O2 S |
| Smiles: | Cn1c2c(C(C(NCc3ccccc3)=O)N(C(CS2)=O)c2cccc(c2)C(F)(F)F)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8658 |
| logD: | 4.8658 |
| logSw: | -4.909 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.989 |
| InChI Key: | MWPIIHGKEPCVOM-DEOSSOPVSA-N |