3-({7-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Chemical Structure Depiction of
3-({7-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
3-({7-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Compound characteristics
| Compound ID: | C091-0193 |
| Compound Name: | 3-({7-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol |
| Molecular Weight: | 387.35 |
| Molecular Formula: | C17 H17 N5 O6 |
| Smiles: | C(CNc1cc(c2c(c1[N+]([O-])=O)non2)Nc1ccc2c(c1)OCCO2)CO |
| Stereo: | ACHIRAL |
| logP: | 2.2112 |
| logD: | 2.2112 |
| logSw: | -2.5516 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.221 |
| InChI Key: | FFJNUGCVMQRLOT-UHFFFAOYSA-N |