1-(4-methoxy-3-nitrophenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-methoxy-3-nitrophenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4-methoxy-3-nitrophenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 3743-0014 |
| Compound Name: | 1-(4-methoxy-3-nitrophenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 294.29 |
| Molecular Formula: | C11 H10 N4 O4 S |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(CSc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6001 |
| logD: | 0.2348 |
| logSw: | -2.3912 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.35 |
| InChI Key: | JHRAJGPAOCEIKC-UHFFFAOYSA-N |