methyl {[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F235-1926 |
| Compound Name: | methyl {[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C19 H19 N3 O4 S |
| Smiles: | COC(CSc1nnc(c2ccc(c(c2)OC)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9085 |
| logD: | 2.9085 |
| logSw: | -3.3447 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.824 |
| InChI Key: | MMHOGQPFYZABMM-UHFFFAOYSA-N |