3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(3-chloro-2-methylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(3-chloro-2-methylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(3-chloro-2-methylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0829 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(3-chloro-2-methylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 435.31 |
| Molecular Formula: | C19 H13 Cl2 F N4 O S |
| Smiles: | Cc1c(cccc1[Cl])N1C=Cn2c(C1=O)nnc2SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.2055 |
| logD: | 4.2055 |
| logSw: | -4.4003 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.401 |
| InChI Key: | FFUITKWCEKBQAD-UHFFFAOYSA-N |