2-{[7-(3,5-dimethylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol
Chemical Structure Depiction of
2-{[7-(3,5-dimethylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol
2-{[7-(3,5-dimethylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol
Compound characteristics
| Compound ID: | C091-0177 |
| Compound Name: | 2-{[7-(3,5-dimethylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C16 H23 N5 O4 |
| Smiles: | CC1CC(C)CN(C1)c1cc(c(c2c1non2)[N+]([O-])=O)N(C)CCO |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2613 |
| logD: | 3.2613 |
| logSw: | -3.7955 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.456 |
| InChI Key: | ZIJWJVHJPPZHKS-UHFFFAOYSA-N |