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85302-26-7 | 2H-1-Benzopyran-8-sulfonamide,4,5,7-trimethyl-2-oxo-N-[(phenylamino)carbonyl]-
CAS No: 85302-26-7 Catalog No: AG004LPA MDL No:
Product Description
Catalog Number:
AG004LPA
Chemical Name:
2H-1-Benzopyran-8-sulfonamide,4,5,7-trimethyl-2-oxo-N-[(phenylamino)carbonyl]-
CAS Number:
85302-26-7
Molecular Formula:
C19H18N2O5S
Molecular Weight:
386.4216
IUPAC Name:
1-phenyl-3-(4,5,7-trimethyl-2-oxochromen-8-yl)sulfonylurea
InChI:
InChI=1S/C19H18N2O5S/c1-11-9-13(3)18(17-16(11)12(2)10-15(22)26-17)27(24,25)21-19(23)20-14-7-5-4-6-8-14/h4-10H,1-3H3,(H2,20,21,23)
InChI Key:
FPENSZWANGTHHM-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)c(c(cc2C)C)S(=O)(=O)NC(=O)Nc1ccccc1
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.094g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.422g/mol
Monoisotopic Mass:
386.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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