methyl 5-[4-(acetyloxy)phenyl]-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 5-[4-(acetyloxy)phenyl]-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 5-[4-(acetyloxy)phenyl]-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3215-0149 |
| Compound Name: | methyl 5-[4-(acetyloxy)phenyl]-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 493.49 |
| Molecular Formula: | C24 H19 N3 O7 S |
| Smiles: | [H]C1(C(=C(C)N=C2N1C(/C(=C\c1cccc(c1)[N+]([O-])=O)S2)=O)C(=O)OC)c1ccc(cc1)OC(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3293 |
| logD: | 3.3293 |
| logSw: | -3.7855 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 100.3 |
| InChI Key: | BTIHQHWGAFWJGS-OAQYLSRUSA-N |