Basic information
- Standard SMILES
COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCC(CCO)CC2)cc(OC)c1.Cl- InChIKey
CHHDCWFYXFEANY-UHFFFAOYSA-N- Molecular formula
- C27H38Cl2N2O5
- Average molar mass
- 541.5 g/mol
- Monoisotopic mass
- 540.2157777
Names & identifiers
- Preferred name
- 1-[4-Amino-5-chloro-2-(3,5-dimethoxy-benzyloxy)phenyl]-5-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one hydrochloride
- IUPAC
- 1-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one;hydrochloride
Names & synonyms
SCHEMBL7355573CHHDCWFYXFEANY-UHFFFAOYSA-N1-[4-amino-5-chloro-2-(3,5-dimethoxy-benzyloxy)phenyl]-5-[4-(2-hydroxyethyl)piperidin-1-yl]pentan-1-one hydrochloride
Database identifiers
- PubChem CID
- 19081836
Properties
Computed structural properties
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 606
Related reactions
1 records
Compound notes
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