ethyl 2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y501-0264 |
| Compound Name: | ethyl 2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | [H]Oc1ccc(cc1)C1C(=C(C)N=C2N1C(/C(=C\c1cn(CC)nc1C)S2)=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6755 |
| logD: | 2.6743 |
| logSw: | -2.6266 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.219 |
| InChI Key: | QFAYEDPAWASSFN-HXUWFJFHSA-N |