Basic information
- CAS
77921-36-9- Standard SMILES
CCCCCC(CN(C)C)C(=O)CC(SCC)c1ccc(Cl)c(Cl)c1- InChIKey
BMJQGJIEPWCNSQ-UHFFFAOYSA-N- Molecular formula
- C20H31Cl2NOS
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 403.1503412
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)-4-[(dimethylamino)methyl]-1-(ethylsulfanyl)nonan-3-one
- IUPAC
- 1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylsulfanylnonan-3-one
Names & synonyms
77921-36-9NSC326123SCHEMBL2682664DTXSID00330879NSC-3261231-(3,4-Dichlorophenyl)-4-[(dimethylamino)methyl]-1-(ethylsulfanyl)nonan-3-one
Database identifiers
- CAS
77921-36-9- PubChem CID
- 433243
- DTXSID
DTXSID00330879
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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