ethyl 7-[4-(methylsulfanyl)phenyl]-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-[4-(methylsulfanyl)phenyl]-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-[4-(methylsulfanyl)phenyl]-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-1303 |
| Compound Name: | ethyl 7-[4-(methylsulfanyl)phenyl]-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)SC)n2c(NC=1c1ccccc1)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.494 |
| logD: | 2.9702 |
| logSw: | -4.1286 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.973 |
| InChI Key: | WIVZRQNREZCUCM-IBGZPJMESA-N |