2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G802-0634 |
| Compound Name: | 2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc2C(N(C=Cn12)c1ccc(C)c(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2435 |
| logD: | 3.2435 |
| logSw: | -3.26 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.852 |
| InChI Key: | CASYBOADHYZYMP-UHFFFAOYSA-N |