ethyl {[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
Compound ID: | V016-4803 |
Compound Name: | ethyl {[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
Molecular Weight: | 369.44 |
Molecular Formula: | C19 H19 N3 O3 S |
Salt: | not_available |
Smiles: | CCOC(CSc1nnc(c2ccc(cc2)OC)n1c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 3.8595 |
logD: | 3.8595 |
logSw: | -3.9727 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 52.687 |
InChI Key: | CIGYKNKSHVPKPL-UHFFFAOYSA-N |