2-{[7-(4-ethylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Chemical Structure Depiction of
2-{[7-(4-ethylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
2-{[7-(4-ethylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Compound characteristics
| Compound ID: | C091-0227 |
| Compound Name: | 2-{[7-(4-ethylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C14 H20 N6 O4 |
| Smiles: | CCN1CCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)NCCO |
| Stereo: | ACHIRAL |
| logP: | 1.8775 |
| logD: | 1.458 |
| logSw: | -2.1893 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.872 |
| InChI Key: | RVLSSRZQMGPCNI-UHFFFAOYSA-N |