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119457-34-0 | 3H-Pyrazol-3-one, 4-[1-(4-aminophenyl)ethylidene]-2-[2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-2,4-dihydro-5-methyl-
CAS No: 119457-34-0 Catalog No: AG000IUL MDL No:
Product Description
Catalog Number:
AG000IUL
Chemical Name:
3H-Pyrazol-3-one, 4-[1-(4-aminophenyl)ethylidene]-2-[2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-2,4-dihydro-5-methyl-
CAS Number:
119457-34-0
Molecular Formula:
C28H21BrN6O2
Molecular Weight:
553.4093
IUPAC Name:
4-[1-(4-aminophenyl)ethylidene]-2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-5-methylpyrazol-3-one
InChI:
InChI=1S/C28H21BrN6O2/c1-15(17-7-10-19(30)11-8-17)25-16(2)33-35(28(25)37)24(36)14-34-23-12-9-18(29)13-20(23)26-27(34)32-22-6-4-3-5-21(22)31-26/h3-13H,14,30H2,1-2H3
InChI Key:
SFKLTAOOAPCRLX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c1nc3ccccc3nc1n2CC(=O)N1N=C(C(=C(c2ccc(cc2)N)C)C1=O)C
Properties
Complexity:
991
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
552.091g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
553.42g/mol
Monoisotopic Mass:
552.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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