(s)-Azepane-1-carboxylic acid {1-[4,4-bis-(4-fluoro-phenyl)-butylcarbamoyl]-ethyl}-amide
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Basic information
- Standard SMILES
C[C@H](NC(=O)N1CCCCCC1)C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1- InChIKey
IWRZEHAXPFHUSX-IBGZPJMESA-N- Molecular formula
- C26H33F2N3O2
- Average molar mass
- 457.6 g/mol
- Monoisotopic mass
- 457.25408363
Names & identifiers
- Preferred name
- (s)-Azepane-1-carboxylic acid {1-[4,4-bis-(4-fluoro-phenyl)-butylcarbamoyl]-ethyl}-amide
- IUPAC
- N-[(2S)-1-[4,4-bis(4-fluorophenyl)butylamino]-1-oxopropan-2-yl]azepane-1-carboxamide
Names & synonyms
IWRZEHAXPFHUSX-IBGZPJMESA-N(s)-azepane-1-carboxylic acid {1-[4,4-bis-(4-fluoro-phenyl)-butylcarbamoyl]-ethyl}-amide
Database identifiers
- PubChem CID
- 53939331
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 574
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Related reactions
1 records
Compound notes
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