3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-7-phenyl[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-7-phenyl[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-7-phenyl[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0506 |
| Compound Name: | 3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-7-phenyl[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | CC(C(c1ccc(C)c(C)c1)=O)Sc1nnc2C(N(C=Cn12)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4459 |
| logD: | 3.4459 |
| logSw: | -3.7127 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.441 |
| InChI Key: | DIPBTBAQKHAVSS-INIZCTEOSA-N |