1-Methylethyl 2-[(3,4-dichlorophenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Basic information
- CAS
618092-55-0- Standard SMILES
CCCOc1ccc(C2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Cl)c(Cl)c4)c(=O)n32)cc1- InChIKey
QIFQAPUYONUZCY-UHFFFAOYSA-N- Molecular formula
- C27H26Cl2N2O4S
- Average molar mass
- 545.5 g/mol
- Monoisotopic mass
- 544.0990339
Names & identifiers
- Preferred name
- 1-Methylethyl 2-[(3,4-dichlorophenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- propan-2-yl 2-[(3,4-dichlorophenyl)methylidene]-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
DTXSID1011015451-Methylethyl 2-[(3,4-dichlorophenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate618092-55-0
Database identifiers
- CAS
618092-55-0- PubChem CID
- 4473804
- DTXSID
DTXSID101101545
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 942
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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