ethyl 5-methyl-7-(4-methylphenyl)-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-7-(4-methylphenyl)-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-7-(4-methylphenyl)-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | C202-1319 |
Compound Name: | ethyl 5-methyl-7-(4-methylphenyl)-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
Molecular Weight: | 400.54 |
Molecular Formula: | C21 H28 N4 O2 S |
Smiles: | CCCCCSc1nc2NC(C)=C(C(c3ccc(C)cc3)n2n1)C(=O)OCC |
Stereo: | RACEMIC MIXTURE |
logP: | 5.9316 |
logD: | 5.7633 |
logSw: | -5.2231 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.525 |
InChI Key: | UYSPQZSVWWXDCF-SFHVURJKSA-N |