7-(5-bromo-2-fluorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(5-bromo-2-fluorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(5-bromo-2-fluorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-0517 |
| Compound Name: | 7-(5-bromo-2-fluorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 502.41 |
| Molecular Formula: | C22 H21 Br F N5 O S |
| Smiles: | CC1=C(C(c2cc(ccc2F)[Br])n2c(N1)nc(n2)SC)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7779 |
| logD: | 5.7772 |
| logSw: | -5.3973 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.164 |
| InChI Key: | OLAGXWSNJKLTMR-IBGZPJMESA-N |