ethyl 7-(4-methoxyphenyl)-5-methyl-2-[(2-methylpropyl)sulfanyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-methoxyphenyl)-5-methyl-2-[(2-methylpropyl)sulfanyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-methoxyphenyl)-5-methyl-2-[(2-methylpropyl)sulfanyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C316-0014 |
| Compound Name: | ethyl 7-(4-methoxyphenyl)-5-methyl-2-[(2-methylpropyl)sulfanyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)n2c(NC=1C)nc(n2)SCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5879 |
| logD: | 4.4196 |
| logSw: | -4.2938 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.068 |
| InChI Key: | HLFLRELFUGVEET-KRWDZBQOSA-N |