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119457-15-7 | 3H-Pyrazol-3-one, 2-[2-(2-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[[4-(dimethylamino)phenyl]methylene]-2,4-dihydro-5-methyl-
CAS No: 119457-15-7 Catalog No: AG000P7J MDL No:
Product Description
Catalog Number:
AG000P7J
Chemical Name:
3H-Pyrazol-3-one, 2-[2-(2-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[[4-(dimethylamino)phenyl]methylene]-2,4-dihydro-5-methyl-
CAS Number:
119457-15-7
Molecular Formula:
C29H23ClN6O2
Molecular Weight:
522.9849
IUPAC Name:
2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[[4-(dimethylamino)phenyl]methylidene]-5-methylpyrazol-3-one
InChI:
InChI=1S/C29H23ClN6O2/c1-17-22(14-18-8-11-20(12-9-18)34(2)3)29(38)36(33-17)26(37)16-35-25-7-5-4-6-21(25)27-28(35)32-23-13-10-19(30)15-24(23)31-27/h4-15H,16H2,1-3H3
InChI Key:
MRODPMFPDKSGPO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc1c(n2)n(c2c1cccc2)CC(=O)N1N=C(C(=Cc2ccc(cc2)N(C)C)C1=O)C
Properties
Complexity:
992
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
522.157g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
522.993g/mol
Monoisotopic Mass:
522.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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