ethyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2388-1124 |
| Compound Name: | ethyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C25 H22 N2 O5 S |
| Smiles: | [H]C1(C(=C(C)N=C2N1C(/C(=C\c1ccc3c(c1)OCO3)S2)=O)C(=O)OCC)c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8024 |
| logD: | 4.8023 |
| logSw: | -4.6073 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.863 |
| InChI Key: | WBLHYEJBDQXYTL-JOCHJYFZSA-N |