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20345-69-1 | (6,7-Dimethoxy-3,4-dihydro-1-isoquinolinyl)(3,4-dimethoxyphenyl)methanone
CAS No: 20345-69-1 Catalog No: AG00J9JV MDL No:MFCD00186975
Product Description
Catalog Number:
AG00J9JV
Chemical Name:
(6,7-Dimethoxy-3,4-dihydro-1-isoquinolinyl)(3,4-dimethoxyphenyl)methanone
CAS Number:
20345-69-1
Molecular Formula:
C20H21NO5
Molecular Weight:
355.3844
MDL Number:
MFCD00186975
IUPAC Name:
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanone
InChI:
InChI=1S/C20H21NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-6,9-11H,7-8H2,1-4H3
InChI Key:
BSYFCWAPBDZVAX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)C1=NCCc2c1cc(OC)c(c2)OC
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.39g/mol
Monoisotopic Mass:
355.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Restraining the flexibility of the central linker in terameprocol results in constrained analogs with improved growth inhibitory activity. | Bioorganic & medicinal chemistry letters 20131115 |
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