3-({7-[(1,3-benzoxazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Chemical Structure Depiction of
3-({7-[(1,3-benzoxazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
3-({7-[(1,3-benzoxazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Compound characteristics
| Compound ID: | K784-6227 |
| Compound Name: | 3-({7-[(1,3-benzoxazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol |
| Molecular Weight: | 387.37 |
| Molecular Formula: | C16 H13 N5 O5 S |
| Smiles: | C(CNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1nc2ccccc2o1)CO |
| Stereo: | ACHIRAL |
| logP: | 3.6415 |
| logD: | 3.6415 |
| logSw: | -4.1116 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.576 |
| InChI Key: | SZDCGRARUFASDM-UHFFFAOYSA-N |