7-(5-bromo-2-fluorophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(5-bromo-2-fluorophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(5-bromo-2-fluorophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-3132 |
| Compound Name: | 7-(5-bromo-2-fluorophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 608.53 |
| Molecular Formula: | C29 H27 Br F N5 O2 S |
| Smiles: | CC1=C(C(c2cc(ccc2F)[Br])n2c(N1)nc(n2)SCc1ccc(C)cc1C)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.621 |
| logD: | 7.6206 |
| logSw: | -5.544 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.523 |
| InChI Key: | NNEJZLMVSRSVLE-SANMLTNESA-N |