7-(3,4-difluorophenyl)-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(3,4-difluorophenyl)-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3,4-difluorophenyl)-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-1012 |
| Compound Name: | 7-(3,4-difluorophenyl)-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 412.42 |
| Molecular Formula: | C20 H14 F2 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc2C(N(C=Cn12)c1ccc(c(c1)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6696 |
| logD: | 2.6696 |
| logSw: | -2.8925 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.949 |
| InChI Key: | XORGWHXBNWMWKJ-UHFFFAOYSA-N |