2-({7-[(2H-1,3-benzodioxol-5-yl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Chemical Structure Depiction of
2-({7-[(2H-1,3-benzodioxol-5-yl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
2-({7-[(2H-1,3-benzodioxol-5-yl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Compound characteristics
| Compound ID: | C091-0164 |
| Compound Name: | 2-({7-[(2H-1,3-benzodioxol-5-yl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol |
| Molecular Weight: | 359.3 |
| Molecular Formula: | C15 H13 N5 O6 |
| Smiles: | C(CO)Nc1cc(c2c(c1[N+]([O-])=O)non2)Nc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.0874 |
| logD: | 3.0874 |
| logSw: | -3.3659 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.514 |
| InChI Key: | YHOPQTHTKFISCX-UHFFFAOYSA-N |