prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-7629 |
| Compound Name: | prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 452.96 |
| Molecular Formula: | C23 H21 Cl N4 O2 S |
| Smiles: | CC1=C(C(c2ccc(cc2)[Cl])n2c(N1)nc(n2)SCc1ccccc1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2154 |
| logD: | 5.1567 |
| logSw: | -5.9064 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.547 |
| InChI Key: | IVHGBZOWXXHVNS-FQEVSTJZSA-N |