3-({4-nitro-7-[4-(pyrimidin-2-yl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Chemical Structure Depiction of
3-({4-nitro-7-[4-(pyrimidin-2-yl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
3-({4-nitro-7-[4-(pyrimidin-2-yl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Compound characteristics
| Compound ID: | C091-0221 |
| Compound Name: | 3-({4-nitro-7-[4-(pyrimidin-2-yl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol |
| Molecular Weight: | 400.4 |
| Molecular Formula: | C17 H20 N8 O4 |
| Smiles: | C(CNc1cc(c2c(c1[N+]([O-])=O)non2)N1CCN(CC1)c1ncccn1)CO |
| Stereo: | ACHIRAL |
| logP: | 2.499 |
| logD: | 2.499 |
| logSw: | -2.5201 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.958 |
| InChI Key: | CWSOEGHKQGQDRW-UHFFFAOYSA-N |