Basic information
- CAS
65201-36-7- Standard SMILES
COc1ccc(CCNC=C2Cc3c(Cl)cccc3C2=O)cc1OC- InChIKey
YJBDSPIDFKVJJC-UHFFFAOYSA-N- Molecular formula
- C20H20ClNO3
- Average molar mass
- 357.8 g/mol
- Monoisotopic mass
- 357.1131712
Names & identifiers
- Preferred name
- 1H-Inden-1-one, 2,3-dihydro-4-chloro-2-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methylene)-
- IUPAC
- 4-chloro-2-[[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]-3H-inden-1-one
Names & synonyms
65201-36-71H-Inden-1-one, 2,3-dihydro-4-chloro-2-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methylene)-RefChem:10581032,3-Dihydro-4-chloro-2-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methylene)-1H-inden-1-oneBRN 2770508DTXSID301385068NSC 277491
Database identifiers
- CAS
65201-36-7- PubChem CID
- 99948
- DTXSID
DTXSID301385068
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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