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17173-01-2 | Benzenesulfonamide,4-methyl-N-[6-(3-methyl-2(3H)-benzothiazolylidene)-2,4-cyclohexadien-1-ylidene]-
CAS No: 17173-01-2 Catalog No: AG007DS3 MDL No:
Product Description
Catalog Number:
AG007DS3
Chemical Name:
Benzenesulfonamide,4-methyl-N-[6-(3-methyl-2(3H)-benzothiazolylidene)-2,4-cyclohexadien-1-ylidene]-
CAS Number:
17173-01-2
Molecular Formula:
C21H18N2O2S2
Molecular Weight:
394.5098
IUPAC Name:
4-methyl-N-[6-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa-2,4-dien-1-ylidene]benzenesulfonamide
InChI:
InChI=1S/C21H18N2O2S2/c1-15-11-13-16(14-12-15)27(24,25)22-18-8-4-3-7-17(18)21-23(2)19-9-5-6-10-20(19)26-21/h3-14H,1-2H3
InChI Key:
JGKDHNQVHVOFMG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)/N=C\1/C=CC=C/C1=c\1/sc2c(n1C)cccc2
Properties
Complexity:
797
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.081g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.507g/mol
Monoisotopic Mass:
394.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.1
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