1-[1-[(2,5-dibromothiophen-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Basic information
- CAS
77626-88-1- Standard SMILES
COc1cc2c(cc1OC)C(Cc1cc(Br)sc1Br)N(C(C)=O)CC2- InChIKey
YGSJKNAZLDZGCV-UHFFFAOYSA-N- Molecular formula
- C18H19Br2NO3S
- Average molar mass
- 489.2 g/mol
- Monoisotopic mass
- 486.94524
Names & identifiers
- Preferred name
- 1-[1-[(2,5-dibromothiophen-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
- IUPAC
- 1-[1-[(2,5-dibromothiophen-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Names & synonyms
77626-88-1NSC3457761-[1-[(2,5-dibromothiophen-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanoneDTXSID50319477NSC-3457761-{1-[(2,5-Dibromothiophen-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Database identifiers
- CAS
77626-88-1- PubChem CID
- 335606
- DTXSID
DTXSID50319477
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 483
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Related reactions
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Compound notes
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