2-[{7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
Chemical Structure Depiction of
2-[{7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
2-[{7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
Compound characteristics
| Compound ID: | K781-8264 |
| Compound Name: | 2-[{7-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol |
| Molecular Weight: | 428.45 |
| Molecular Formula: | C20 H24 N6 O5 |
| Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)N1CCN(CC1)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.348 |
| logD: | 3.3479 |
| logSw: | -3.674 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.393 |
| InChI Key: | MXGPNJIUFZXGAG-UHFFFAOYSA-N |