ethyl 7-(3-bromophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(3-bromophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(3-bromophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | C202-1327 |
Compound Name: | ethyl 7-(3-bromophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
Molecular Weight: | 513.46 |
Molecular Formula: | C24 H25 Br N4 O2 S |
Smiles: | CCOC(C1C(c2cccc(c2)[Br])n2c(NC=1C)nc(n2)SCc1ccc(C)cc1C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.8288 |
logD: | 6.7279 |
logSw: | -5.5274 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.253 |
InChI Key: | OXGRVZVNFOCHIE-NRFANRHFSA-N |