3-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-7-(3,4-difluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-7-(3,4-difluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-7-(3,4-difluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-1022 |
| Compound Name: | 3-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-7-(3,4-difluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 432.83 |
| Molecular Formula: | C19 H11 Cl F2 N4 O2 S |
| Smiles: | C(C(c1ccccc1[Cl])=O)Sc1nnc2C(N(C=Cn12)c1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8768 |
| logD: | 2.8768 |
| logSw: | -3.7203 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.949 |
| InChI Key: | VOCWADPXLUHWEN-UHFFFAOYSA-N |