Ethyl 2-[[3-bromo-4-(phenylmethoxy)phenyl]methylene]-2,3-dihydro-5-(2-methoxy-1-naphthalenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Basic information
- CAS
895764-32-6- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4)c(Br)c3)c(=O)n2C1c1c(OC)ccc2ccccc12- InChIKey
AQLJUCYNKIYSNT-UHFFFAOYSA-N- Molecular formula
- C35H29BrN2O5S
- Average molar mass
- 669.6 g/mol
- Monoisotopic mass
- 668.09806
Names & identifiers
- Preferred name
- Ethyl 2-[[3-bromo-4-(phenylmethoxy)phenyl]methylene]-2,3-dihydro-5-(2-methoxy-1-naphthalenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(3-bromo-4-phenylmethoxyphenyl)methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
DTXSID801100186895764-32-6Ethyl 2-[[3-bromo-4-(phenylmethoxy)phenyl]methylene]-2,3-dihydro-5-(2-methoxy-1-naphthalenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
895764-32-6- PubChem CID
- 165366385
- DTXSID
DTXSID801100186
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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