7-(5-bromo-2-methoxyphenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(5-bromo-2-methoxyphenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(5-bromo-2-methoxyphenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-1206 |
| Compound Name: | 7-(5-bromo-2-methoxyphenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 624.99 |
| Molecular Formula: | C29 H27 Br Cl N5 O2 S |
| Smiles: | CC1=C(C(c2cc(ccc2OC)[Br])n2c(N1)nc(n2)SCc1ccccc1[Cl])C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.8192 |
| logD: | 7.8186 |
| logSw: | -6.3786 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.523 |
| InChI Key: | KMBSBUHDYXIOLY-SANMLTNESA-N |