ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C316-0106 |
| Compound Name: | ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 458.94 |
| Molecular Formula: | C22 H20 Cl F N4 O2 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)n2c(NC=1C)nc(n2)SCc1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5784 |
| logD: | 5.4774 |
| logSw: | -6.051 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.253 |
| InChI Key: | RXQPSDWTIWSLOH-IBGZPJMESA-N |