ethyl {[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V006-3696 |
| Compound Name: | ethyl {[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(CSc1nnc(c2cccnc2)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9415 |
| logD: | 2.9373 |
| logSw: | -2.7815 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.661 |
| InChI Key: | LFRKVBAMSBFWRG-UHFFFAOYSA-N |