ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-5-methyl-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}-7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-2306 |
| Compound Name: | ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 573.46 |
| Molecular Formula: | C25 H25 Br N4 O5 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)OC)OC)n2c(NC=1C)nc(n2)SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9155 |
| logD: | 4.8145 |
| logSw: | -4.701 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.761 |
| InChI Key: | VUNORPCITLVKAD-QFIPXVFZSA-N |