Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CBr)cc3)cc2)CC1- InChIKey
MFFDSUQWPMXJBS-UHFFFAOYSA-N- Molecular formula
- C23H22BrNO3
- Average molar mass
- 440.3 g/mol
- Monoisotopic mass
- 439.07831
Names & identifiers
- Preferred name
- 1-[4'-(4-Bromomethyl-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[4-[4-[4-(bromomethyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL950MFFDSUQWPMXJBS-UHFFFAOYSA-N1-[4'-(4-Bromomethyl-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 66577199
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 536
Related reactions
41 records
Compound notes
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