4-{[3-(3-methoxyphenoxy)propyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[3-(3-methoxyphenoxy)propyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[3-(3-methoxyphenoxy)propyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-0431 |
| Compound Name: | 4-{[3-(3-methoxyphenoxy)propyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | Cc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCCCOc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3508 |
| logD: | 4.3508 |
| logSw: | -4.3299 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.894 |
| InChI Key: | LTVZMQVZBGPFGX-UHFFFAOYSA-N |