methyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y070-0673 |
| Compound Name: | methyl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C24 H20 N2 O5 S |
| Smiles: | CC1=C(C(c2ccc(C)cc2)N2C(=N1)SC(=C\c1ccc3c(c1)OCO3)\C2=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3618 |
| logD: | 4.3618 |
| logSw: | -4.4232 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.283 |
| InChI Key: | PLIWXMXWUGNHBS-OAQYLSRUSA-N |