3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-phenyl[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-phenyl[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-phenyl[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0502 |
| Compound Name: | 3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-phenyl[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C21 H18 N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)C(CSc1nnc2C(N(C=Cn12)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7336 |
| logD: | 2.7336 |
| logSw: | -3.1912 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.949 |
| InChI Key: | DGXHVILJERCITK-UHFFFAOYSA-N |