7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | G922-0376 |
Compound Name: | 7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 543.62 |
Molecular Formula: | C29 H26 F N5 O3 S |
Smiles: | CC1=C(C(c2ccc(cc2)F)n2c(N1)nc(n2)SCC(c1ccc(C)cc1)=O)C(Nc1ccccc1OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.4933 |
logD: | 5.4927 |
logSw: | -5.5355 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.77 |
InChI Key: | VSBZNHADFKBURT-SANMLTNESA-N |