ethyl 7-(2-bromo-6-methoxyphenyl)-5-methyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(2-bromo-6-methoxyphenyl)-5-methyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(2-bromo-6-methoxyphenyl)-5-methyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1172 |
| Compound Name: | ethyl 7-(2-bromo-6-methoxyphenyl)-5-methyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 516.42 |
| Molecular Formula: | C22 H22 Br N5 O3 S |
| Smiles: | CCOC(C1C(c2c(cccc2[Br])OC)n2c(NC=1C)nc(n2)SCc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1792 |
| logD: | 3.9133 |
| logSw: | -4.0876 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.401 |
| InChI Key: | SLRNSHWPXJWMGM-IBGZPJMESA-N |