2-[{7-[4-(3-chlorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
Chemical Structure Depiction of
2-[{7-[4-(3-chlorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
2-[{7-[4-(3-chlorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
Compound characteristics
| Compound ID: | K901-0435 |
| Compound Name: | 2-[{7-[4-(3-chlorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol |
| Molecular Weight: | 432.87 |
| Molecular Formula: | C19 H21 Cl N6 O4 |
| Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)N1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8277 |
| logD: | 3.8277 |
| logSw: | -4.1409 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.849 |
| InChI Key: | XPPIFWJCOWMARO-UHFFFAOYSA-N |