4-(4-benzamido-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(4-benzamido-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide
4-(4-benzamido-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9498 |
| Compound Name: | 4-(4-benzamido-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 583.64 |
| Molecular Formula: | C33 H31 F2 N5 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(c1ccccc1)=O)C(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5791 |
| logD: | 5.577 |
| logSw: | -5.7904 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.805 |
| InChI Key: | NVNKRSNQMNXBDK-UHFFFAOYSA-N |