3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
Compound ID: | G802-0965 |
Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
Molecular Weight: | 430.89 |
Molecular Formula: | C20 H16 Cl F N4 O2 S |
Smiles: | CCOc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCc1c(cccc1[Cl])F |
Stereo: | ACHIRAL |
logP: | 3.456 |
logD: | 3.456 |
logSw: | -3.6677 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 45.826 |
InChI Key: | STKNEXFZKVVUNG-UHFFFAOYSA-N |