7-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-2-(4-ethylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
7-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-2-(4-ethylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
7-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-2-(4-ethylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0506 |
| Compound Name: | 7-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-2-(4-ethylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | CCc1ccc(cc1)c1cc2C(NN=C(n2n1)SCC(c1cc(ccc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.657 |
| logD: | 4.6542 |
| logSw: | -4.4738 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.735 |
| InChI Key: | MVBBTGRCANZPCK-UHFFFAOYSA-N |