3-{[2-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-1053 |
| Compound Name: | 3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | CC(C)c1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0606 |
| logD: | 3.0606 |
| logSw: | -3.3923 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.21 |
| InChI Key: | YCBFCBKYVKBOFD-UHFFFAOYSA-N |