ethyl 2-(benzylsulfanyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-(benzylsulfanyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-(benzylsulfanyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C316-0048 |
| Compound Name: | ethyl 2-(benzylsulfanyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H21 F N4 O2 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)n2c(NC=1C)nc(n2)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6454 |
| logD: | 4.5444 |
| logSw: | -4.3496 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.253 |
| InChI Key: | AXJZUYGMUBJEIC-IBGZPJMESA-N |