4-{2-(piperidine-1-carbonyl)-4-[(thiophene-2-carbonyl)amino]phenyl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-{2-(piperidine-1-carbonyl)-4-[(thiophene-2-carbonyl)amino]phenyl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-{2-(piperidine-1-carbonyl)-4-[(thiophene-2-carbonyl)amino]phenyl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9464 |
| Compound Name: | 4-{2-(piperidine-1-carbonyl)-4-[(thiophene-2-carbonyl)amino]phenyl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 599.68 |
| Molecular Formula: | C30 H32 F3 N5 O3 S |
| Salt: | not_available |
| Smiles: | C1CCN(CC1)C(c1cc(ccc1N1CCCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7552 |
| logD: | 5.7512 |
| logSw: | -5.9386 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.756 |
| InChI Key: | OCAWFSHEGYIWIH-UHFFFAOYSA-N |