4-[4-(4-chlorobenzamido)-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[4-(4-chlorobenzamido)-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
4-[4-(4-chlorobenzamido)-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V025-4620 |
| Compound Name: | 4-[4-(4-chlorobenzamido)-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 614.12 |
| Molecular Formula: | C34 H33 Cl F N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)NC(N1CCCN(CC1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4626 |
| logD: | 6.4587 |
| logSw: | -6.1636 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.503 |
| InChI Key: | BFZJLXIWOBYFLT-UHFFFAOYSA-N |