Basic information
- Standard SMILES
COc1c(Cl)c(C)c(C(C)=O)c(OCCNC2CCCC2)c1OCCCc1ccccc1- InChIKey
SJMHDSOPXSARFU-UHFFFAOYSA-N- Molecular formula
- C26H34ClNO4
- Average molar mass
- 460 g/mol
- Monoisotopic mass
- 459.2176363
Names & identifiers
- Preferred name
- 1-[3-Chloro-6-(2-cyclopentylamino-ethoxy)-4-methoxy-2-methyl-5-(3-phenyl-propoxy)-phenyl]-ethanone
- IUPAC
- 1-[5-chloro-2-[2-(cyclopentylamino)ethoxy]-4-methoxy-6-methyl-3-(3-phenylpropoxy)phenyl]ethanone
Names & synonyms
SCHEMBL3389899SJMHDSOPXSARFU-UHFFFAOYSA-N1-[3-Chloro-6-(2-cyclopentylamino-ethoxy)-4-methoxy-2-methyl-5-(3-phenyl-propoxy)-phenyl]-ethanone
Database identifiers
- PubChem CID
- 25254524
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 550
Related reactions
2 records
Compound notes
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