3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-1046 |
| Compound Name: | 3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | CC(C)c1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCC(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6246 |
| logD: | 3.6246 |
| logSw: | -3.7445 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.949 |
| InChI Key: | VXCOGUBRWYKYIV-UHFFFAOYSA-N |