2-[(4-nitro-7-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
Chemical Structure Depiction of
2-[(4-nitro-7-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
2-[(4-nitro-7-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
Compound characteristics
| Compound ID: | C091-0276 |
| Compound Name: | 2-[(4-nitro-7-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C22 H28 N6 O7 |
| Smiles: | COc1ccc(CN2CCN(CC2)c2cc(c(c3c2non3)[N+]([O-])=O)NCCO)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9788 |
| logD: | 2.5152 |
| logSw: | -3.3827 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.94 |
| InChI Key: | BEKDCMHWEYKKOZ-UHFFFAOYSA-N |