3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-phenyl[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-phenyl[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-phenyl[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0536 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-phenyl[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cc1ccc(C)c(CSc2nnc3C(N(C=Cn23)c2ccccc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4439 |
| logD: | 3.4439 |
| logSw: | -3.5717 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.702 |
| InChI Key: | KGDPTMNKCDCCLB-UHFFFAOYSA-N |