N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-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
N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-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: | G922-0436 |
Compound Name: | N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 541.65 |
Molecular Formula: | C30 H28 F N5 O2 S |
Smiles: | CC1=C(C(c2ccccc2F)n2c(N1)nc(n2)SCC(c1ccc(C)cc1)=O)C(Nc1ccc(C)cc1C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.3804 |
logD: | 6.38 |
logSw: | -5.5148 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.14 |
InChI Key: | MHQDYRPWUNTWPG-MHZLTWQESA-N |