methyl {[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C244-0073 |
| Compound Name: | methyl {[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C17 H16 N4 O3 S |
| Smiles: | COC(CSc1nnc(c2cccnc2)n1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9094 |
| logD: | 1.9052 |
| logSw: | -1.6885 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.625 |
| InChI Key: | MOKBPDNXLGEMKL-UHFFFAOYSA-N |