3-{[7-(4-ethylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Chemical Structure Depiction of
3-{[7-(4-ethylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
3-{[7-(4-ethylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Compound characteristics
| Compound ID: | K901-0928 |
| Compound Name: | 3-{[7-(4-ethylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol |
| Molecular Weight: | 350.38 |
| Molecular Formula: | C15 H22 N6 O4 |
| Smiles: | CCN1CCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)NCCCO |
| Stereo: | ACHIRAL |
| logP: | 1.8619 |
| logD: | 1.4424 |
| logSw: | -2.1528 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.872 |
| InChI Key: | UQNTVUXFJPWRSQ-UHFFFAOYSA-N |