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198649-76-2 | Benzenesulfonamide, 4-[[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methylene]amino]-N-[(phenylamino)thioxomethyl]-
CAS No: 198649-76-2 Catalog No: AG002BOE MDL No:
Product Description
Catalog Number:
AG002BOE
Chemical Name:
Benzenesulfonamide, 4-[[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methylene]amino]-N-[(phenylamino)thioxomethyl]-
CAS Number:
198649-76-2
Molecular Formula:
C24H19N3O4S2
Molecular Weight:
477.5554
IUPAC Name:
1-[4-[(6-methyl-4-oxochromen-3-yl)methylideneamino]phenyl]sulfonyl-3-phenylthiourea
InChI:
InChI=1S/C24H19N3O4S2/c1-16-7-12-22-21(13-16)23(28)17(15-31-22)14-25-18-8-10-20(11-9-18)33(29,30)27-24(32)26-19-5-3-2-4-6-19/h2-15H,1H3,(H2,26,27,32)
InChI Key:
RLJHOPWJEYEDCX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(=O)c(co2)C=Nc1ccc(cc1)S(=O)(=O)NC(=S)Nc1ccccc1
Properties
Complexity:
882
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.082g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
477.553g/mol
Monoisotopic Mass:
477.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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