1-{4'-[4-(2-Benzylamino-1-hydroxy-ethyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C(O)CNCc4ccccc4)cc3)cc2)CC1- InChIKey
BVGPHDLNSIPQMH-UHFFFAOYSA-N- Molecular formula
- C31H32N2O4
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.23620751
Names & identifiers
- Preferred name
- 1-{4'-[4-(2-Benzylamino-1-hydroxy-ethyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[4-[4-[4-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL1892BVGPHDLNSIPQMH-UHFFFAOYSA-N1-{4'-[4-(2-Benzylamino-1-hydroxy-ethyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 66577352
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 721
Related reactions
6 records
Compound notes
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