2-(4-chlorophenoxy)-N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)acetamide
Chemical Structure Depiction of
2-(4-chlorophenoxy)-N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)acetamide
2-(4-chlorophenoxy)-N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)acetamide
Compound characteristics
| Compound ID: | V012-5104 |
| Compound Name: | 2-(4-chlorophenoxy)-N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)acetamide |
| Molecular Weight: | 495.97 |
| Molecular Formula: | C25 H26 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(COc1ccc(cc1)[Cl])=O)Cc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1132 |
| logD: | 5.0546 |
| logSw: | -5.5724 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.621 |
| InChI Key: | UKZGQLSFVAEWSU-UHFFFAOYSA-N |