2-[(4-nitro-7-{[3-(piperidin-1-yl)propyl]amino}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
Chemical Structure Depiction of
2-[(4-nitro-7-{[3-(piperidin-1-yl)propyl]amino}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
2-[(4-nitro-7-{[3-(piperidin-1-yl)propyl]amino}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
Compound characteristics
| Compound ID: | C091-0311 |
| Compound Name: | 2-[(4-nitro-7-{[3-(piperidin-1-yl)propyl]amino}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C16 H24 N6 O4 |
| Smiles: | C1CCN(CC1)CCCNc1cc(c(c2c1non2)[N+]([O-])=O)NCCO |
| Stereo: | ACHIRAL |
| logP: | 2.1184 |
| logD: | 0.1509 |
| logSw: | -2.3512 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.545 |
| InChI Key: | NNVMOSMOEBWXQF-UHFFFAOYSA-N |