2-(3,4-dimethoxyphenyl)-7-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-7-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
2-(3,4-dimethoxyphenyl)-7-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0375 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-7-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | Cc1ccc(C(CSC2=NNC(c3cc(c4ccc(c(c4)OC)OC)nn23)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.234 |
| logD: | 4.2312 |
| logSw: | -4.2974 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.822 |
| InChI Key: | BIRPSTJUSLAYRG-UHFFFAOYSA-N |