4-{4-[(cyclopropanecarbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-{4-[(cyclopropanecarbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-{4-[(cyclopropanecarbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V025-1059 |
| Compound Name: | 4-{4-[(cyclopropanecarbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 545.61 |
| Molecular Formula: | C28 H34 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)NC(C1CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6761 |
| logD: | 4.6721 |
| logSw: | -4.3652 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.544 |
| InChI Key: | NYILCSDWFXVJCA-UHFFFAOYSA-N |