3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0968 |
| Compound Name: | 3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C20 H16 Cl F N4 O2 S |
| Smiles: | CCOc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.6065 |
| logD: | 3.6065 |
| logSw: | -3.7831 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.826 |
| InChI Key: | GDQXGUSKUIFNRH-UHFFFAOYSA-N |