4-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-0091 |
| Compound Name: | 4-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | Cc1ccc(c(c1)OC)OCCSC1=NC(c2ccccc2)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2297 |
| logD: | 3.2297 |
| logSw: | -3.4251 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.068 |
| InChI Key: | DASXGXMXEIEQIB-UHFFFAOYSA-N |