Ethyl 2-[(2,4-dichlorophenyl)methylene]-2,3-dihydro-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Basic information
- CAS
618092-11-8- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3Cl)c(=O)n2C1c1ccc(OCCC(C)C)c(OC)c1- InChIKey
QGNLBUBAVIFVNO-UHFFFAOYSA-N- Molecular formula
- C29H30Cl2N2O5S
- Average molar mass
- 589.5 g/mol
- Monoisotopic mass
- 588.1252486
Names & identifiers
- Preferred name
- Ethyl 2-[(2,4-dichlorophenyl)methylene]-2,3-dihydro-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(2,4-dichlorophenyl)methylidene]-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
DTXSID201100457618092-11-8Ethyl 2-[(2,4-dichlorophenyl)methylene]-2,3-dihydro-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
618092-11-8- PubChem CID
- 4473376
- DTXSID
DTXSID201100457
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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