ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-7-phenyl-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-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4489-5975 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 619.49 |
| Molecular Formula: | C30 H23 Br N2 O6 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1c1ccccc1)SC(=C/c1cc(ccc1OC)[Br])\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0626 |
| logD: | 7.0626 |
| logSw: | -5.6671 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.723 |
| InChI Key: | YBNYJVVAZODHMO-MHZLTWQESA-N |