Methyl 2-[(3,4-dichlorophenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate

HCID 4473802

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Basic information

CAS: 618092-51-6
Standard SMILES: CCCOc1ccc(C2C(C(=O)OC)=C(C)N=c3sc(=Cc4ccc(Cl)c(Cl)c4)c(=O)n32)cc1
InChIKey: HJBWGMWCFCMYEI-UHFFFAOYSA-N
Molecular formula: C25H22Cl2N2O4S
Average molar mass: 517.4 g/mol
Monoisotopic mass: 516.0677337

Names & identifiers

Preferred name: Methyl 2-[(3,4-dichlorophenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC: methyl 2-[(3,4-dichlorophenyl)methylidene]-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Names & synonyms

DTXSID901102735618092-51-6Methyl 2-[(3,4-dichlorophenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate

Database identifiers

CAS: 618092-51-6
PubChem CID: 4473802
DTXSID: DTXSID901102735

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 93.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 897

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