ethyl 7-(4-cyanophenyl)-5-methyl-2-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-cyanophenyl)-5-methyl-2-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-cyanophenyl)-5-methyl-2-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 5223-7813 |
| Compound Name: | ethyl 7-(4-cyanophenyl)-5-methyl-2-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C20 H17 N5 O2 S |
| Smiles: | CCOC(C1C(c2ccc(C#N)cc2)n2c(NC=1C)nc(c1cccs1)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9025 |
| logD: | 3.8826 |
| logSw: | -3.9753 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.606 |
| InChI Key: | SYIHJRPDLYYHJO-KRWDZBQOSA-N |