N-(6-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-(6-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2,2-dimethylpropanamide
N-(6-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | V012-6914 |
| Compound Name: | N-(6-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2,2-dimethylpropanamide |
| Molecular Weight: | 400.95 |
| Molecular Formula: | C22 H29 Cl N4 O |
| Salt: | not_available |
| Smiles: | CC(C)(C)C(Nc1ccc(nc1)N1CCCN(CC1)Cc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.699 |
| logD: | 4.6381 |
| logSw: | -4.5855 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.526 |
| InChI Key: | JRJLQYZTFNPCFG-UHFFFAOYSA-N |