ethyl 7-[4-(methoxycarbonyl)phenyl]-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-[4-(methoxycarbonyl)phenyl]-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-[4-(methoxycarbonyl)phenyl]-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0541 |
| Compound Name: | ethyl 7-[4-(methoxycarbonyl)phenyl]-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C18 H20 N4 O4 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(=O)OC)n2c(NC=1C)nc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5006 |
| logD: | 3.3323 |
| logSw: | -3.6121 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.699 |
| InChI Key: | KLKWTFUMAKWOFP-AWEZNQCLSA-N |