methyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-(2-phenylethenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-(2-phenylethenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-(2-phenylethenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 5311-0129 |
| Compound Name: | methyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-(2-phenylethenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C25 H20 N2 O5 S |
| Smiles: | [H]C1(/C=C/c2ccccc2)C(=C(C)N=C2N1C(/C(=C\c1ccc3c(c1)OCO3)S2)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5053 |
| logD: | 4.5053 |
| logSw: | -4.4825 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.235 |
| InChI Key: | RMILWRPAXUMSNP-DAPNIVKRSA-N |