2-(methyl{4-nitro-7-[4-(pyrimidin-2-yl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Chemical Structure Depiction of
2-(methyl{4-nitro-7-[4-(pyrimidin-2-yl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
2-(methyl{4-nitro-7-[4-(pyrimidin-2-yl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Compound characteristics
| Compound ID: | C091-0219 |
| Compound Name: | 2-(methyl{4-nitro-7-[4-(pyrimidin-2-yl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol |
| Molecular Weight: | 400.4 |
| Molecular Formula: | C17 H20 N8 O4 |
| Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)N1CCN(CC1)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.4088 |
| logD: | 2.4088 |
| logSw: | -2.1297 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.212 |
| InChI Key: | RLVOAWWXKGYTSZ-UHFFFAOYSA-N |