ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-2303 |
| Compound Name: | ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 527.44 |
| Molecular Formula: | C24 H23 Br N4 O3 S |
| Smiles: | CCOC(C1C(c2ccc(C)cc2)n2c(NC=1C)nc(n2)SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6763 |
| logD: | 5.5753 |
| logSw: | -5.4551 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.5 |
| InChI Key: | GWMRGJAACULNMI-NRFANRHFSA-N |