3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(2-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(2-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(2-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0186 |
| Compound Name: | 3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(2-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 416.86 |
| Molecular Formula: | C19 H14 Cl F N4 O2 S |
| Smiles: | COc1ccccc1N1C=Cn2c(C1=O)nnc2SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.1429 |
| logD: | 3.1429 |
| logSw: | -3.4008 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.032 |
| InChI Key: | QYBKYKSVXDDPNA-UHFFFAOYSA-N |