4-{2-[benzyl(methyl)carbamoyl]-4-(3-methylbutanamido)phenyl}-N-(propan-2-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-{2-[benzyl(methyl)carbamoyl]-4-(3-methylbutanamido)phenyl}-N-(propan-2-yl)-1,4-diazepane-1-carboxamide
4-{2-[benzyl(methyl)carbamoyl]-4-(3-methylbutanamido)phenyl}-N-(propan-2-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V025-4304 |
| Compound Name: | 4-{2-[benzyl(methyl)carbamoyl]-4-(3-methylbutanamido)phenyl}-N-(propan-2-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 507.68 |
| Molecular Formula: | C29 H41 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)C(N(C)Cc1ccccc1)=O)N1CCCN(CC1)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6281 |
| logD: | 4.6088 |
| logSw: | -4.357 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.866 |
| InChI Key: | ALMIHKGPTDEGFF-UHFFFAOYSA-N |