2,2-dimethyl-N-(6-{4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)propanamide
Chemical Structure Depiction of
2,2-dimethyl-N-(6-{4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)propanamide
2,2-dimethyl-N-(6-{4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)propanamide
Compound characteristics
| Compound ID: | V021-9125 |
| Compound Name: | 2,2-dimethyl-N-(6-{4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)propanamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H29 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)C(Nc1ccc(nc1)N1CCCN(CC1)Cc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9867 |
| logD: | 3.8483 |
| logSw: | -3.8453 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.908 |
| InChI Key: | XKHCBARNWMZBCQ-UHFFFAOYSA-N |