methyl {[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4508-0007 |
| Compound Name: | methyl {[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C17 H16 N4 O2 S |
| Smiles: | COC(CSc1nnc(c2ccncc2)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3645 |
| logD: | 2.3631 |
| logSw: | -2.2899 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.248 |
| InChI Key: | YJWNKEQUQDYGTQ-UHFFFAOYSA-N |