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Home > Sulfanilamide > 88217-02-1
88217-02-1 | Benz[a]anthracene-4-sulfonamide, N,N-diethyl-7,12-dimethyl-
CAS No: 88217-02-1 Catalog No: AG008BCJ MDL No:
Product Description
Catalog Number:
AG008BCJ
Chemical Name:
Benz[a]anthracene-4-sulfonamide, N,N-diethyl-7,12-dimethyl-
CAS Number:
88217-02-1
Molecular Formula:
C24H25NO2S
Molecular Weight:
391.5258
IUPAC Name:
N,N-diethyl-7,12-dimethylbenzo[a]anthracene-4-sulfonamide
InChI:
InChI=1S/C24H25NO2S/c1-5-25(6-2)28(26,27)23-13-9-12-22-21(23)15-14-20-16(3)18-10-7-8-11-19(18)17(4)24(20)22/h7-15H,5-6H2,1-4H3
InChI Key:
JLMCRHRJNQJTRL-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cccc2c1ccc1c2c(C)c2c(c1C)cccc2)CC
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.161g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.529g/mol
Monoisotopic Mass:
391.161g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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