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 |