ethyl 2-{[([1,1'-biphenyl]-4-yl)methyl]sulfanyl}-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[([1,1'-biphenyl]-4-yl)methyl]sulfanyl}-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[([1,1'-biphenyl]-4-yl)methyl]sulfanyl}-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1034 |
| Compound Name: | ethyl 2-{[([1,1'-biphenyl]-4-yl)methyl]sulfanyl}-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 517.05 |
| Molecular Formula: | C28 H25 Cl N4 O2 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])n2c(NC=1C)nc(n2)SCc1ccc(cc1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9298 |
| logD: | 6.8288 |
| logSw: | -6.3937 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.982 |
| InChI Key: | YWXFZFDICFPAPC-VWLOTQADSA-N |