2-{methyl[4-nitro-7-(4-phenylpiperazin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Chemical Structure Depiction of
2-{methyl[4-nitro-7-(4-phenylpiperazin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
2-{methyl[4-nitro-7-(4-phenylpiperazin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Compound characteristics
| Compound ID: | K901-0434 |
| Compound Name: | 2-{methyl[4-nitro-7-(4-phenylpiperazin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol |
| Molecular Weight: | 398.42 |
| Molecular Formula: | C19 H22 N6 O4 |
| Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)N1CCN(CC1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2441 |
| logD: | 3.2441 |
| logSw: | -3.6118 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.849 |
| InChI Key: | YLTOQDAOYBWPOX-UHFFFAOYSA-N |