Basic information
- Standard SMILES
CCN(CC)C[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1- InChIKey
AQYZNKSEKPNNMF-SMCANUKXSA-N- Molecular formula
- C33H50N4O3
- Average molar mass
- 550.8 g/mol
Names & identifiers
- Preferred name
- (S,S)-Azepane-1-carboxylic acid {1-[2-(4-benzyloxy-phenyl)-1-diethylaminomethyl-ethylcarbamoyl]-3-methyl-butyl}-amide
- IUPAC
- N-[(2S)-1-[[(2S)-1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide
Names & synonyms
SCHEMBL7963499AQYZNKSEKPNNMF-SMCANUKXSA-N(S,S)-Azepane-1-carboxylic acid {1-[2-(4-benzyloxy-phenyl)-1-diethylaminomethyl-ethylcarbamoyl]-3-methyl-butyl}-amide
Database identifiers
- PubChem CID
- 9829020
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 706
Related reactions
1 records
Compound notes
Loading…