7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | C202-3751 |
Compound Name: | 7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 576.56 |
Molecular Formula: | C29 H30 Br N5 O S |
Smiles: | CC1C(C(c2cccc(c2)[Br])n2c(N1)nc(n2)SCc1cccc(C)c1)C(Nc1ccc(C)cc1C)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 7.6793 |
logD: | 7.6789 |
logSw: | -5.5827 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.724 |
InChI Key: | XHUSRGAABKMIKM-UHFFFAOYSA-N |