N-(6-{4-[(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-methylbenzamide
Chemical Structure Depiction of
N-(6-{4-[(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-methylbenzamide
N-(6-{4-[(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-methylbenzamide
Compound characteristics
| Compound ID: | V016-8936 |
| Compound Name: | N-(6-{4-[(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-methylbenzamide |
| Molecular Weight: | 478.98 |
| Molecular Formula: | C26 H27 Cl N4 O3 |
| Smiles: | Cc1ccccc1C(Nc1ccc(nc1)N1CCCN(CC1)C(COc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.534 |
| logD: | 4.5328 |
| logSw: | -4.6725 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.142 |
| InChI Key: | CKIABHOLDQEOAF-UHFFFAOYSA-N |