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 |