4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methylpropanamido)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methylpropanamido)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methylpropanamido)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V025-4702 |
| Compound Name: | 4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methylpropanamido)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C31 H36 F N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)C(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(Nc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2082 |
| logD: | 5.2062 |
| logSw: | -4.9601 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.774 |
| InChI Key: | RYDHCDALEAYDRD-UHFFFAOYSA-N |