7-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
7-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
7-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0441 |
| Compound Name: | 7-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)c1cc2C(NN=C(n2n1)SCC(c1ccc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1024 |
| logD: | 5.0995 |
| logSw: | -4.8199 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.685 |
| InChI Key: | OBFOGQSEQOGSEC-UHFFFAOYSA-N |