Basic information
- Standard SMILES
COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCC(C)CC2)cc(OC)c1- InChIKey
FTFGBSBKFGHMRC-UHFFFAOYSA-N- Molecular formula
- C26H35ClN2O4
- Average molar mass
- 475 g/mol
- Monoisotopic mass
- 474.2285353
Names & identifiers
- Preferred name
- 1-[4-Amino-5-chloro-2-(3,5-dimethoxybenzyloxy)phenyl]-5-(4-methylpiperidin-1-yl)pentan-1-one
- IUPAC
- 1-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-(4-methylpiperidin-1-yl)pentan-1-one
Names & synonyms
CHEMBL419112SCHEMBL7351626FTFGBSBKFGHMRC-UHFFFAOYSA-N1-[4-amino-5-chloro-2-(3,5-dimethoxybenzyloxy)phenyl]-5-(4-methylpiperidin-1-yl)pentan-1-one
Database identifiers
- PubChem CID
- 19081853
- ChEMBL
CHEMBL419112
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 575
Related reactions
1 records
Compound notes
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