4-{4-[(4-methylbenzene-1-sulfonyl)amino]-2-(piperidine-1-carbonyl)phenyl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-{4-[(4-methylbenzene-1-sulfonyl)amino]-2-(piperidine-1-carbonyl)phenyl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-{4-[(4-methylbenzene-1-sulfonyl)amino]-2-(piperidine-1-carbonyl)phenyl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V025-4519 |
| Compound Name: | 4-{4-[(4-methylbenzene-1-sulfonyl)amino]-2-(piperidine-1-carbonyl)phenyl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 643.73 |
| Molecular Formula: | C32 H36 F3 N5 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc(c(c1)C(N1CCCCC1)=O)N1CCCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1781 |
| logD: | 6.1387 |
| logSw: | -5.5332 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.296 |
| InChI Key: | SPFWQQOTDCPIEH-UHFFFAOYSA-N |