2-(2-chlorophenyl)-4-{[3-(3,4-dimethylphenoxy)propyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
2-(2-chlorophenyl)-4-{[3-(3,4-dimethylphenoxy)propyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(2-chlorophenyl)-4-{[3-(3,4-dimethylphenoxy)propyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-0543 |
| Compound Name: | 2-(2-chlorophenyl)-4-{[3-(3,4-dimethylphenoxy)propyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C22 H21 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1C)OCCCSC1=NC(c2ccccc2[Cl])=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3295 |
| logD: | 5.3295 |
| logSw: | -5.691 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.351 |
| InChI Key: | GLDXSROKTWIUKH-UHFFFAOYSA-N |