methyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-phenyl-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-phenyl-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-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 1611-4128 |
| Compound Name: | methyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C23 H18 N2 O5 S |
| Smiles: | [H]C1(C(=C(C)N=C2N1C(/C(=C\c1ccc3c(c1)OCO3)S2)=O)C(=O)OC)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9427 |
| logD: | 3.9427 |
| logSw: | -4.0413 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.283 |
| InChI Key: | VUBKTYPGNIZHBA-HXUWFJFHSA-N |