ethyl 7-(4-chlorophenyl)-5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-chlorophenyl)-5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-chlorophenyl)-5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | C202-1439 |
Compound Name: | ethyl 7-(4-chlorophenyl)-5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
Molecular Weight: | 485.95 |
Molecular Formula: | C22 H20 Cl N5 O4 S |
Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])n2c(NC=1C)nc(n2)SCc1ccc(cc1)[N+]([O-])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.1367 |
logD: | 5.0357 |
logSw: | -5.7648 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 89.635 |
InChI Key: | JTEGASJDKOTMLC-IBGZPJMESA-N |