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
- Formal charge
- 0
- Complexity
- 841
Related reactions
3 records
Linked notes
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