5-Benzyloxy-2-[(4-benzyloxy-phenyl)-(4-fluoro-phenylamino)-methyl]-5-(4-fluoro-phenyl)-pentanoic acid methyl ester

HCID 66713420

Basic information

Standard SMILES
COC(=O)C(CCC(OCc1ccccc1)c1ccc(F)cc1)C(Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1
InChIKey
KNMUFPPLCZMDRM-UHFFFAOYSA-N
Molecular formula
C39H37F2NO4
Average molar mass
621.7 g/mol

Names & identifiers

Preferred name
5-Benzyloxy-2-[(4-benzyloxy-phenyl)-(4-fluoro-phenylamino)-methyl]-5-(4-fluoro-phenyl)-pentanoic acid methyl ester
IUPAC
methyl 2-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-(4-fluorophenyl)-5-phenylmethoxypentanoate

Names & synonyms

SCHEMBL524323KNMUFPPLCZMDRM-UHFFFAOYSA-N5-Benzyloxy-2-[(4-benzyloxy-phenyl)-(4-fluoro-phenylamino)-methyl]-5-(4-fluoro-phenyl)-pentanoic acid methyl ester

Database identifiers

PubChem CID
66713420

Properties

Computed structural properties

XLogP
9.1
Topological polar surface area
56.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
16
Heavy atoms
46

Related reactions

3 records

Linked notes

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