4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(2-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(2-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(2-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-0190 |
| Compound Name: | 4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(2-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | Cc1ccccc1C1=NC2=CC(NN2C(=N1)SCCOc1ccc(C)c(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7906 |
| logD: | 4.7906 |
| logSw: | -4.8492 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.351 |
| InChI Key: | ZGFQESGLNIWGOP-UHFFFAOYSA-N |