4-[2-(piperidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]carbamamido}phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[2-(piperidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]carbamamido}phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-[2-(piperidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]carbamamido}phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-6568 |
| Compound Name: | 4-[2-(piperidine-1-carbonyl)-4-{[4-(trifluoromethyl)phenyl]carbamamido}phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 676.66 |
| Molecular Formula: | C33 H34 F6 N6 O3 |
| Salt: | not_available |
| Smiles: | C1CCN(CC1)C(c1cc(ccc1N1CCCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)NC(Nc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3659 |
| logD: | 7.3619 |
| logSw: | -6.2519 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.949 |
| InChI Key: | CBIMHSMJGZOCEU-UHFFFAOYSA-N |