3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0612 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 414.89 |
| Molecular Formula: | C20 H16 Cl F N4 O S |
| Smiles: | Cc1ccc(cc1C)N1C=Cn2c(C1=O)nnc2SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.2347 |
| logD: | 4.2347 |
| logSw: | -4.4527 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.702 |
| InChI Key: | DBWSETTZPCIZBA-UHFFFAOYSA-N |