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20335-69-7 | Isoquinoline, 1,2,3,4-tetrahydro-2-[(4-methylphenyl)sulfonyl]-
CAS No: 20335-69-7 Catalog No: AG0028UU MDL No:
Product Description
Catalog Number:
AG0028UU
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-[(4-methylphenyl)sulfonyl]-
CAS Number:
20335-69-7
Molecular Formula:
C16H17NO2S
Molecular Weight:
287.3767
IUPAC Name:
2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C16H17NO2S/c1-13-6-8-16(9-7-13)20(18,19)17-11-10-14-4-2-3-5-15(14)12-17/h2-9H,10-12H2,1H3
InChI Key:
ABXZGZXVLBYJDK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)cccc2
NSC Number:
124439
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.377g/mol
Monoisotopic Mass:
287.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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