Basic information
- CAS
618092-35-6- Standard SMILES
C=CCOc1ccc(C2C(C(=O)OCc3ccccc3)=C(C)N=c3sc(=Cc4ccc(Cl)cc4Cl)c(=O)n32)cc1OC- InChIKey
LLXSKXNOVFGXMP-UHFFFAOYSA-N- Molecular formula
- C32H26Cl2N2O5S
- Average molar mass
- 621.5 g/mol
- Monoisotopic mass
- 620.0939485
Names & identifiers
- Preferred name
- Phenylmethyl 2-[(2,4-dichlorophenyl)methylene]-2,3-dihydro-5-[3-methoxy-4-(2-propen-1-yloxy)phenyl]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- benzyl 2-[(2,4-dichlorophenyl)methylidene]-5-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
DTXSID401099779618092-35-6Phenylmethyl 2-[(2,4-dichlorophenyl)methylene]-2,3-dihydro-5-[3-methoxy-4-(2-propen-1-yloxy)phenyl]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
618092-35-6- PubChem CID
- 4473604
- DTXSID
DTXSID401099779
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
- 42
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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