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497060-24-9 | 6-methyl-1-(naphthalene-2-sulfonyl)-1,2,3,4-tetrahydroquinoline
CAS No: 497060-24-9 Catalog No: AG00IXDD MDL No:MFCD01567652
Product Description
Catalog Number:
AG00IXDD
Chemical Name:
6-methyl-1-(naphthalene-2-sulfonyl)-1,2,3,4-tetrahydroquinoline
CAS Number:
497060-24-9
Molecular Formula:
C20H19NO2S
Molecular Weight:
337.4354
MDL Number:
MFCD01567652
IUPAC Name:
6-methyl-1-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-quinoline
InChI:
InChI=1S/C20H19NO2S/c1-15-8-11-20-18(13-15)7-4-12-21(20)24(22,23)19-10-9-16-5-2-3-6-17(16)14-19/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3
InChI Key:
SUFAFPUIUAUDQQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.114g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.437g/mol
Monoisotopic Mass:
337.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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