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511239-03-5 | 6,7-dimethoxy-1-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 511239-03-5 Catalog No: AG00I95F MDL No:MFCD03725190
Product Description
Catalog Number:
AG00I95F
Chemical Name:
6,7-dimethoxy-1-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
511239-03-5
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
MDL Number:
MFCD03725190
IUPAC Name:
6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C15H17NO2S/c1-17-12-8-10-5-6-16-15(14-4-3-7-19-14)11(10)9-13(12)18-2/h3-4,7-9,15-16H,5-6H2,1-2H3
InChI Key:
GLXRHRXCWKOJAR-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNC2c1cccs1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.366g/mol
Monoisotopic Mass:
275.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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