3-({7-[benzyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Chemical Structure Depiction of
3-({7-[benzyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
3-({7-[benzyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Compound characteristics
| Compound ID: | K901-0895 |
| Compound Name: | 3-({7-[benzyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol |
| Molecular Weight: | 357.37 |
| Molecular Formula: | C17 H19 N5 O4 |
| Smiles: | CN(Cc1ccccc1)c1cc(c(c2c1non2)[N+]([O-])=O)NCCCO |
| Stereo: | ACHIRAL |
| logP: | 3.2438 |
| logD: | 3.2438 |
| logSw: | -3.5906 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.837 |
| InChI Key: | QLOIILPHBUSUCO-UHFFFAOYSA-N |