3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0331 |
| Compound Name: | 3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 440.45 |
| Molecular Formula: | C21 H17 F N4 O4 S |
| Smiles: | COc1ccc(cc1OC)C(CSc1nnc2C(N(C=Cn12)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.813 |
| logD: | 1.813 |
| logSw: | -2.4258 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.21 |
| InChI Key: | QXHULVDPVMGATO-UHFFFAOYSA-N |