ethyl 4-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 4-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
ethyl 4-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
Compound ID: | V030-9526 |
Compound Name: | ethyl 4-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
Molecular Weight: | 382.48 |
Molecular Formula: | C20 H22 N4 O2 S |
Salt: | not_available |
Smiles: | CCOC(CCCSc1nnc(c2cccnc2)n1c1ccc(C)cc1)=O |
Stereo: | ACHIRAL |
logP: | 3.3692 |
logD: | 3.365 |
logSw: | -3.2057 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.661 |
InChI Key: | PDXUFBCQSTVMIN-UHFFFAOYSA-N |