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119457-23-7 | 3H-Pyrazol-3-one, 2-[2-(2-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[1-(4-chlorophenyl)ethylidene]-2,4-dihydro-5-methyl-
CAS No: 119457-23-7 Catalog No: AG000ITD MDL No:
Product Description
Catalog Number:
AG000ITD
Chemical Name:
3H-Pyrazol-3-one, 2-[2-(2-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[1-(4-chlorophenyl)ethylidene]-2,4-dihydro-5-methyl-
CAS Number:
119457-23-7
Molecular Formula:
C28H19Cl2N5O2
Molecular Weight:
528.3888
IUPAC Name:
2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[1-(4-chlorophenyl)ethylidene]-5-methylpyrazol-3-one
InChI:
InChI=1S/C28H19Cl2N5O2/c1-15(17-7-9-18(29)10-8-17)25-16(2)33-35(28(25)37)24(36)14-34-23-6-4-3-5-20(23)26-27(34)32-21-12-11-19(30)13-22(21)31-26/h3-13H,14H2,1-2H3
InChI Key:
ZAGHQEPHGNDPEM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=C1C(=NN(C1=O)C(=O)Cn1c2nc3ccc(cc3nc2c2c1cccc2)Cl)C)C
Properties
Complexity:
993
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.092g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
528.393g/mol
Monoisotopic Mass:
527.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.4
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