methyl 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 8010-3803 |
| Compound Name: | methyl 2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 555.45 |
| Molecular Formula: | C26 H23 Br N2 O5 S |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C)N=C2N1C(/C(=C/c1cc3c(cc1[Br])OCO3)S2)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8184 |
| logD: | 5.8184 |
| logSw: | -5.5019 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.283 |
| InChI Key: | PMCHFVBNLUVJKW-QHCPKHFHSA-N |