4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(4-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-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
Compound ID: | G199-0422 |
Compound Name: | 4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(4-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: | Cc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCCOc1ccc(C)c(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.9807 |
logD: | 4.9807 |
logSw: | -5.1218 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.351 |
InChI Key: | MAXPUPYUQSMXIZ-UHFFFAOYSA-N |