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Home > Quinoline > 562079-21-4
562079-21-4 | 1-(4-tert-butylbenzenesulfonyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CAS No: 562079-21-4 Catalog No: AG00IV8V MDL No:MFCD00245612
Product Description
Catalog Number:
AG00IV8V
Chemical Name:
1-(4-tert-butylbenzenesulfonyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CAS Number:
562079-21-4
Molecular Formula:
C20H25NO2S
Molecular Weight:
343.4830
MDL Number:
MFCD00245612
IUPAC Name:
1-(4-tert-butylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
InChI:
InChI=1S/C20H25NO2S/c1-15-7-12-19-16(14-15)6-5-13-21(19)24(22,23)18-10-8-17(9-11-18)20(2,3)4/h7-12,14H,5-6,13H2,1-4H3
InChI Key:
HPACZNSFSPHFAV-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.161g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.485g/mol
Monoisotopic Mass:
343.161g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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