ethyl 7-(4-bromophenyl)-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-(4-bromophenyl)-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-bromophenyl)-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: | C202-2307 |
| Compound Name: | ethyl 7-(4-bromophenyl)-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 592.31 |
| Molecular Formula: | C23 H20 Br2 N4 O3 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Br])n2c(NC=1C)nc(n2)SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0868 |
| logD: | 5.9858 |
| logSw: | -5.5354 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.5 |
| InChI Key: | LADFAEGQJCMDPB-FQEVSTJZSA-N |