4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(furan-2-carbonyl)amino]phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(furan-2-carbonyl)amino]phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(furan-2-carbonyl)amino]phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9469 |
| Compound Name: | 4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(furan-2-carbonyl)amino]phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 623.61 |
| Molecular Formula: | C32 H29 F4 N5 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(c1ccco1)=O)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8237 |
| logD: | 5.8218 |
| logSw: | -5.9909 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.081 |
| InChI Key: | JHWXKWRURXUOGV-UHFFFAOYSA-N |