2-[{7-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
Chemical Structure Depiction of
2-[{7-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
2-[{7-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
Compound characteristics
| Compound ID: | K781-8263 |
| Compound Name: | 2-[{7-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C21 H26 N6 O4 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)N(C)CCO |
| Stereo: | ACHIRAL |
| logP: | 4.4021 |
| logD: | 4.402 |
| logSw: | -4.4539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.549 |
| InChI Key: | UPPVWBAXGUZARU-UHFFFAOYSA-N |