4-[4-(4-chlorobenzamido)-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[4-(4-chlorobenzamido)-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-[4-(4-chlorobenzamido)-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V028-1148 |
| Compound Name: | 4-[4-(4-chlorobenzamido)-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 668.09 |
| Molecular Formula: | C34 H30 Cl F4 N5 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(c1ccc(cc1)[Cl])=O)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1459 |
| logD: | 7.142 |
| logSw: | -6.669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.503 |
| InChI Key: | FITIJEONDTWFMK-UHFFFAOYSA-N |