1-{4'-[4-(2-Benzyl-cyclohexylamino)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

HCID 66577705
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Basic information

Standard SMILES
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC4CCCCC4Cc4ccccc4)cc3)cc2)CC1
InChIKey
MJIBXKRWJFDMGA-UHFFFAOYSA-N
Molecular formula
C35H38N2O3
Average molar mass
534.7 g/mol

Names & identifiers

Preferred name
1-{4'-[4-(2-Benzyl-cyclohexylamino)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester
IUPAC
ethyl 1-[4-[4-[4-[(2-benzylcyclohexyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

Names & synonyms

SCHEMBL4526MJIBXKRWJFDMGA-UHFFFAOYSA-N1-{4'-[4-(2-Benzyl-cyclohexylamino)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

Database identifiers

PubChem CID
66577705

Properties

Computed structural properties

XLogP
8.2
Topological polar surface area
64.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
40

Related reactions

2 records
New reaction record

Compound notes

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