N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-4-[4-(propan-2-yl)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-[4-(propan-2-yl)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-[4-(propan-2-yl)phenyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0850 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-10-methyl-3-oxo-4-[4-(propan-2-yl)phenyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 501.62 |
| Molecular Formula: | C29 H28 F N3 O2 S |
| Smiles: | CC(C)c1ccc(cc1)N1C(C(NCc2ccc(cc2)F)=O)c2c3ccccc3n(C)c2SCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3613 |
| logD: | 5.3612 |
| logSw: | -5.5738 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.989 |
| InChI Key: | XUFBTKKHSCUMEY-MHZLTWQESA-N |