Methyl (3-bromo-5-fluorophenyl){1-[(S)-(4-chlorophenyl)(3-cyanophenyl)methyl]azetidin-3-ylidene}acetate
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Basic information
- Standard SMILES
COC(=O)C(=C1CN([C@@H](c2ccc(Cl)cc2)c2cccc(C#N)c2)C1)c1cc(F)cc(Br)c1- InChIKey
VCLJPSBYVCVSJF-VWLOTQADSA-N- Molecular formula
- C26H19BrClFN2O2
- Average molar mass
- 525.8 g/mol
Names & identifiers
- Preferred name
- Methyl (3-bromo-5-fluorophenyl){1-[(S)-(4-chlorophenyl)(3-cyanophenyl)methyl]azetidin-3-ylidene}acetate
- IUPAC
- methyl 2-(3-bromo-5-fluorophenyl)-2-[1-[(S)-(4-chlorophenyl)-(3-cyanophenyl)methyl]azetidin-3-ylidene]acetate
Names & synonyms
SCHEMBL1500623VCLJPSBYVCVSJF-VWLOTQADSA-Nmethyl (3-bromo-5-fluorophenyl){1-[(S)-(4-chlorophenyl) (3-cyanophenyl)methyl]azetidin-3-ylidene}acetateMethyl (3-bromo-5-fluorophenyl){1-[(S)-(4-chlorophenyl)(3-cyanophenyl)methyl]azetidin-3-ylidene}acetateMethyl(3-bromo-5-fluorophenyl){1-[(S)-(4-chlorophenyl)(3-cyanophenyl)methyl]azetidin-3-ylidene}acetate
Database identifiers
- PubChem CID
- 67055366
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 782
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Related reactions
2 records
Compound notes
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