7-(4-acetamidophenyl)-2-(benzylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(4-acetamidophenyl)-2-(benzylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-acetamidophenyl)-2-(benzylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | C202-2517 |
Compound Name: | 7-(4-acetamidophenyl)-2-(benzylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 540.64 |
Molecular Formula: | C29 H28 N6 O3 S |
Smiles: | CC1=C(C(c2ccc(cc2)NC(C)=O)n2c(N1)nc(n2)SCc1ccccc1)C(Nc1ccccc1OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.4394 |
logD: | 4.4388 |
logSw: | -4.4081 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 88.785 |
InChI Key: | KNPYGLHWLKVIAV-SANMLTNESA-N |