3-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Chemical Structure Depiction of
3-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
3-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Compound characteristics
| Compound ID: | C091-0081 |
| Compound Name: | 3-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C15 H21 N5 O4 |
| Smiles: | CC1CCCN(C1)c1cc(c(c2c1non2)[N+]([O-])=O)NCCCO |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8185 |
| logD: | 2.8185 |
| logSw: | -3.4923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.269 |
| InChI Key: | RPDQIKPYCUNTDP-JTQLQIEISA-N |