200,000+ products from a single source!
sales@angenechem.com
119457-22-6 | 3H-Pyrazol-3-one, 4-[1-(4-aminophenyl)ethylidene]-2-[2-(2-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-2,4-dihydro-5-methyl-
CAS No: 119457-22-6 Catalog No: AG000ITE MDL No:
Product Description
Catalog Number:
AG000ITE
Chemical Name:
3H-Pyrazol-3-one, 4-[1-(4-aminophenyl)ethylidene]-2-[2-(2-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-2,4-dihydro-5-methyl-
CAS Number:
119457-22-6
Molecular Formula:
C28H21ClN6O2
Molecular Weight:
508.9583
IUPAC Name:
4-[1-(4-aminophenyl)ethylidene]-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-5-methylpyrazol-3-one
InChI:
InChI=1S/C28H21ClN6O2/c1-15(17-7-10-19(30)11-8-17)25-16(2)33-35(28(25)37)24(36)14-34-23-6-4-3-5-20(23)26-27(34)32-21-12-9-18(29)13-22(21)31-26/h3-13H,14,30H2,1-2H3
InChI Key:
UPCXMIBTMKUJSM-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C(=C1C(=NN(C1=O)C(=O)Cn1c2ccccc2c2c1nc1ccc(cc1n2)Cl)C)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:
508.141g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
508.966g/mol
Monoisotopic Mass:
508.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.