ethyl 7-(3,4-dimethoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(3,4-dimethoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(3,4-dimethoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0909 |
| Compound Name: | ethyl 7-(3,4-dimethoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)OC)OC)n2c(NC=1C)nc(n2)SCc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3566 |
| logD: | 5.2557 |
| logSw: | -5.2927 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.514 |
| InChI Key: | FJJBCZPSAZWNHZ-QFIPXVFZSA-N |