ethyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-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-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 1900-2974 |
| Compound Name: | ethyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C22 H18 N2 O5 S2 |
| Smiles: | [H]C1(C(=C(C)N=C2N1C(/C(=C\c1ccc3c(c1)OCO3)S2)=O)C(=O)OCC)c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0032 |
| logD: | 4.0032 |
| logSw: | -4.0642 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.881 |
| InChI Key: | PUZXEXZDHZMFAH-LJQANCHMSA-N |