7-(3-chloro-2-methylphenyl)-3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(3-chloro-2-methylphenyl)-3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3-chloro-2-methylphenyl)-3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0815 |
| Compound Name: | 7-(3-chloro-2-methylphenyl)-3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 470.93 |
| Molecular Formula: | C22 H19 Cl N4 O4 S |
| Smiles: | Cc1c(cccc1[Cl])N1C=Cn2c(C1=O)nnc2SCC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8409 |
| logD: | 2.8409 |
| logSw: | -3.4351 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.909 |
| InChI Key: | HVISADAQVDVELQ-UHFFFAOYSA-N |