Ethyl 2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

HCID 2859934

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Basic information

CAS: 5667-90-3
Standard SMILES: CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2C1c1ccc(C)cc1
InChIKey: DJJJQGNDPUPQGD-UHFFFAOYSA-N
Molecular formula: C25H24N2O5S
Average molar mass: 464.5 g/mol
Monoisotopic mass: 464.14059304

Names & identifiers

Preferred name: Ethyl 2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC: ethyl 2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Names & synonyms

CBMicro_008734Oprea1_145357DTXSID10386342Ethyl 2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Database identifiers

CAS: 5667-90-3
PubChem CID: 2859934
DTXSID: DTXSID10386342

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 114 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 33
Formal charge: 0
Complexity: 874

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