7-(3,4-dimethylphenyl)-3-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(3,4-dimethylphenyl)-3-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3,4-dimethylphenyl)-3-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0593 |
| Compound Name: | 7-(3,4-dimethylphenyl)-3-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | Cc1ccc(cc1C)N1C=Cn2c(C1=O)nnc2SCC(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.308 |
| logD: | 3.308 |
| logSw: | -3.5447 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.493 |
| InChI Key: | YWRHYMDYHDUFNW-UHFFFAOYSA-N |