2-(4'-{4-[(R)-1-(2-Fluoro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-2-methyl-propionic acid ethyl ester

HCID 67352249
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Basic information

Standard SMILES
CCOC(=O)C(C)(C)c1ccc(-c2ccc(-c3onc(C)c3NC(=O)O[C@H](C)c3ccccc3F)cc2)cc1
InChIKey
QIBQPZQKWFJMGB-HXUWFJFHSA-N
Molecular formula
C31H31FN2O5
Average molar mass
530.6 g/mol
Monoisotopic mass
530.22170026

Names & identifiers

Preferred name
2-(4'-{4-[(R)-1-(2-Fluoro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-2-methyl-propionic acid ethyl ester
IUPAC
ethyl 2-[4-[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]-2-methylpropanoate

Names & synonyms

SCHEMBL2293828QIBQPZQKWFJMGB-HXUWFJFHSA-N2-(4'-{4-[(R)-1-(2-Fluoro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-2-methyl-propionic acid ethyl ester

Database identifiers

PubChem CID
67352249

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
90.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

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