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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Cc2cccc(C(=O)NCc3ccc(F)c(-c4cccc(C=O)c4)c3)c2)CC1- InChIKey
KHLCECIPQPHPTA-UHFFFAOYSA-N- Molecular formula
- C32H35FN2O4
- Average molar mass
- 530.6 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-{[3-({[(6-fluoro-3'-formyl-3-biphenylyl)methyl]amino}carbonyl)phenyl]methyl}-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-[[3-[[4-fluoro-3-(3-formylphenyl)phenyl]methylcarbamoyl]phenyl]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1631611KHLCECIPQPHPTA-UHFFFAOYSA-N1,1-dimethylethyl 4-{[3-({[(6-fluoro-3'-formyl-3-biphenylyl)methyl]amino}carbonyl)phenyl]methyl}-1-piperidinecarboxylate
Database identifiers
- PubChem CID
- 57736693
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 821
Related reactions
2 records
Compound notes
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