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496054-71-8 | N-{4-[(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)sulfonyl]phenyl}acetamide
CAS No: 496054-71-8 Catalog No: AG00ITJ9 MDL No:MFCD05125579
Product Description
Catalog Number:
AG00ITJ9
Chemical Name:
N-{4-[(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)sulfonyl]phenyl}acetamide
CAS Number:
496054-71-8
Molecular Formula:
C18H20N2O3S
Molecular Weight:
344.4280
MDL Number:
MFCD05125579
IUPAC Name:
N-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide
InChI:
InChI=1S/C18H20N2O3S/c1-13-5-10-18-15(12-13)4-3-11-20(18)24(22,23)17-8-6-16(7-9-17)19-14(2)21/h5-10,12H,3-4,11H2,1-2H3,(H,19,21)
InChI Key:
WBPXUTJNYXNVMR-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCc2c1ccc(c2)C
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.119g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.429g/mol
Monoisotopic Mass:
344.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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