2-(4-methylphenyl)-4-{[(4-methylphenyl)methyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
2-(4-methylphenyl)-4-{[(4-methylphenyl)methyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(4-methylphenyl)-4-{[(4-methylphenyl)methyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-0458 |
| Compound Name: | 2-(4-methylphenyl)-4-{[(4-methylphenyl)methyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cc1ccc(CSC2=NC(c3ccc(C)cc3)=NC3=CC(NN23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8945 |
| logD: | 3.8945 |
| logSw: | -3.8964 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.933 |
| InChI Key: | JBGZIZIQXHPWAV-UHFFFAOYSA-N |