4-[4-(4-chlorobenzamido)-2-(diethylcarbamoyl)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[4-(4-chlorobenzamido)-2-(diethylcarbamoyl)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
4-[4-(4-chlorobenzamido)-2-(diethylcarbamoyl)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-7761 |
| Compound Name: | 4-[4-(4-chlorobenzamido)-2-(diethylcarbamoyl)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 562.11 |
| Molecular Formula: | C31 H36 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCCN(CC1)C(Nc1cccc(C)c1)=O)NC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4047 |
| logD: | 5.4003 |
| logSw: | -5.8012 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.021 |
| InChI Key: | HUPFDGOPYVMZCI-UHFFFAOYSA-N |