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Home > Quinoline > 163557-53-7
163557-53-7 | Isoquinoline, 3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-1-(methylthio)-
CAS No: 163557-53-7 Catalog No: AG001U7Q MDL No:
Product Description
Catalog Number:
AG001U7Q
Chemical Name:
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-1-(methylthio)-
CAS Number:
163557-53-7
Molecular Formula:
C14H19NO2S
Molecular Weight:
265.3712
IUPAC Name:
6,7-dimethoxy-3,3-dimethyl-1-methylsulfanyl-4H-isoquinoline
InChI:
InChI=1S/C14H19NO2S/c1-14(2)8-9-6-11(16-3)12(17-4)7-10(9)13(15-14)18-5/h6-7H,8H2,1-5H3
InChI Key:
RPSUUNBXYWODIB-UHFFFAOYSA-N
SMILES:
CSC1=NC(C)(C)Cc2c1cc(OC)c(c2)OC
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.371g/mol
Monoisotopic Mass:
265.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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