N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide
Chemical Structure Depiction of
N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide
N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide
Compound characteristics
| Compound ID: | V024-0184 |
| Compound Name: | N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(COc1ccccc1)=O)Cc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4899 |
| logD: | 4.4314 |
| logSw: | -4.1569 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.621 |
| InChI Key: | KNORPANIGADYHJ-UHFFFAOYSA-N |