3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0428 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 404.82 |
| Molecular Formula: | C18 H11 Cl F2 N4 O S |
| Smiles: | C(c1c(cccc1[Cl])F)Sc1nnc2C(N(C=Cn12)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1161 |
| logD: | 3.1161 |
| logSw: | -3.4223 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.702 |
| InChI Key: | DWTNHZKJJNTXIO-UHFFFAOYSA-N |