3-({7-[4-(2-fluorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Chemical Structure Depiction of
3-({7-[4-(2-fluorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
3-({7-[4-(2-fluorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Compound characteristics
| Compound ID: | K901-0930 |
| Compound Name: | 3-({7-[4-(2-fluorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol |
| Molecular Weight: | 416.41 |
| Molecular Formula: | C19 H21 F N6 O4 |
| Smiles: | C(CNc1cc(c2c(c1[N+]([O-])=O)non2)N1CCN(CC1)c1ccccc1F)CO |
| Stereo: | ACHIRAL |
| logP: | 3.5129 |
| logD: | 3.5129 |
| logSw: | -3.8791 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.295 |
| InChI Key: | MIPVQFGBDHMNNY-UHFFFAOYSA-N |