ethyl 7-(3-bromo-4-methoxyphenyl)-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(3-bromo-4-methoxyphenyl)-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(3-bromo-4-methoxyphenyl)-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-2305 |
| Compound Name: | ethyl 7-(3-bromo-4-methoxyphenyl)-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 622.33 |
| Molecular Formula: | C24 H22 Br2 N4 O4 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)[Br])OC)n2c(NC=1C)nc(n2)SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6719 |
| logD: | 5.5709 |
| logSw: | -5.465 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.131 |
| InChI Key: | AGICGURGXRRNER-NRFANRHFSA-N |