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2907-79-1 | Benzenesulfonamide, N-(4-amino-9,10-dihydro-9,10-dioxo-3-phenoxy-1-anthracenyl)-4-methyl-
CAS No: 2907-79-1 Catalog No: AG002X8Q MDL No:
Product Description
Catalog Number:
AG002X8Q
Chemical Name:
Benzenesulfonamide, N-(4-amino-9,10-dihydro-9,10-dioxo-3-phenoxy-1-anthracenyl)-4-methyl-
CAS Number:
2907-79-1
Molecular Formula:
C27H20N2O5S
Molecular Weight:
484.5231
IUPAC Name:
N-(4-amino-9,10-dioxo-3-phenoxyanthracen-1-yl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C27H20N2O5S/c1-16-11-13-18(14-12-16)35(32,33)29-21-15-22(34-17-7-3-2-4-8-17)25(28)24-23(21)26(30)19-9-5-6-10-20(19)27(24)31/h2-15,29H,28H2,1H3
InChI Key:
VOOHPYUBEFOAEZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)c(c2c1C(=O)c1ccccc1C2=O)N
EC Number:
220-819-9
Properties
Complexity:
888
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.109g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
484.526g/mol
Monoisotopic Mass:
484.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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