N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylacetamide
Chemical Structure Depiction of
N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylacetamide
N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylacetamide
Compound characteristics
| Compound ID: | V028-5257 |
| Compound Name: | N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylacetamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(Cc1ccccc1)=O)Cc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3731 |
| logD: | 4.3145 |
| logSw: | -4.1688 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.122 |
| InChI Key: | OQMWVMLCWWKJNL-UHFFFAOYSA-N |