2-{[7-(4-cyclohexylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol
Chemical Structure Depiction of
2-{[7-(4-cyclohexylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol
2-{[7-(4-cyclohexylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol
Compound characteristics
| Compound ID: | K781-8265 |
| Compound Name: | 2-{[7-(4-cyclohexylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C19 H28 N6 O4 |
| Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)N1CCN(CC1)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.2659 |
| logD: | 2.8725 |
| logSw: | -3.6506 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.683 |
| InChI Key: | RJWQQYQXOQJHBL-UHFFFAOYSA-N |