4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(4-methoxyphenyl)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-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-1582 |
| Compound Name: | 4-{[2-(3-chloro-4-methylphenoxy)ethyl]sulfanyl}-2-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])OCCSC1=NC(c2ccc(cc2)OC)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5397 |
| logD: | 4.5397 |
| logSw: | -4.6464 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.894 |
| InChI Key: | XAFNMTULBDKFIQ-UHFFFAOYSA-N |