ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2032-0061 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 677.57 |
| Molecular Formula: | C33 H29 Br N2 O7 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1cc(c(c(c1)[Br])OCc1ccccc1)OCC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8128 |
| logD: | 6.8128 |
| logSw: | -5.685 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.474 |
| InChI Key: | URZVRAHCYFFUOP-LJAQVGFWSA-N |