7-(4-ethoxyphenyl)-3-{[(3-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(4-ethoxyphenyl)-3-{[(3-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(4-ethoxyphenyl)-3-{[(3-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0964 |
| Compound Name: | 7-(4-ethoxyphenyl)-3-{[(3-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C20 H17 F N4 O2 S |
| Smiles: | CCOc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 2.829 |
| logD: | 2.829 |
| logSw: | -3.2411 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.826 |
| InChI Key: | XWIFIQXKJMZERF-UHFFFAOYSA-N |