2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | 4489-6934 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 513.55 |
| Molecular Formula: | C28 H20 F N3 O4 S |
| Smiles: | CC1=C(C(c2ccc(cc2)F)N2C(=N1)SC(=C/c1ccc3c(c1)OCO3)\C2=O)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8868 |
| logD: | 4.8862 |
| logSw: | -4.6745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.2 |
| InChI Key: | WFFRYVYJLVFLHK-RUZDIDTESA-N |