ethyl {[5-phenyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-phenyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-phenyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C663-0766 |
| Compound Name: | ethyl {[5-phenyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C16 H16 N4 O2 S |
| Smiles: | CCOC(CSc1nnc(c2ccccc2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.067 |
| logD: | 3.067 |
| logSw: | -3.065 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.577 |
| InChI Key: | HDDJLMVTPMVFCI-UHFFFAOYSA-N |