4-{2-[benzyl(methyl)carbamoyl]-4-(4-chlorobenzamido)phenyl}-N-(propan-2-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-{2-[benzyl(methyl)carbamoyl]-4-(4-chlorobenzamido)phenyl}-N-(propan-2-yl)-1,4-diazepane-1-carboxamide
4-{2-[benzyl(methyl)carbamoyl]-4-(4-chlorobenzamido)phenyl}-N-(propan-2-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V028-1125 |
| Compound Name: | 4-{2-[benzyl(methyl)carbamoyl]-4-(4-chlorobenzamido)phenyl}-N-(propan-2-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 562.11 |
| Molecular Formula: | C31 H36 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)NC(N1CCCN(CC1)c1ccc(cc1C(N(C)Cc1ccccc1)=O)NC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4246 |
| logD: | 5.4049 |
| logSw: | -5.8238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.808 |
| InChI Key: | FXSGOWNPXRBUIN-UHFFFAOYSA-N |