ethyl 2-(benzylsulfanyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-(benzylsulfanyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-(benzylsulfanyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-1485 |
| Compound Name: | ethyl 2-(benzylsulfanyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CCOC(C1C(c2ccccc2)n2c(NC=1C)nc(n2)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6206 |
| logD: | 4.5197 |
| logSw: | -4.3296 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.253 |
| InChI Key: | YQROVJOHCIFACD-IBGZPJMESA-N |