200,000+ products from a single source!
sales@angenechem.com
119457-26-0 | 3H-Pyrazol-3-one, 2-[2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-2,4-dihydro-4-[(4-methoxyphenyl)methylene]-5-methyl-
CAS No: 119457-26-0 Catalog No: AG000ITA MDL No:
Product Description
Catalog Number:
AG000ITA
Chemical Name:
3H-Pyrazol-3-one, 2-[2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-2,4-dihydro-4-[(4-methoxyphenyl)methylene]-5-methyl-
CAS Number:
119457-26-0
Molecular Formula:
C28H20BrN5O3
Molecular Weight:
554.3941
IUPAC Name:
2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-4-[(4-methoxyphenyl)methylidene]-5-methylpyrazol-3-one
InChI:
InChI=1S/C28H20BrN5O3/c1-16-20(13-17-7-10-19(37-2)11-8-17)28(36)34(32-16)25(35)15-33-24-12-9-18(29)14-21(24)26-27(33)31-23-6-4-3-5-22(23)30-26/h3-14H,15H2,1-2H3
InChI Key:
TYZYJMNIQUZGSL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C1C(=NN(C1=O)C(=O)Cn1c2ccc(cc2c2c1nc1ccccc1n2)Br)C
Properties
Complexity:
964
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
553.075g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.404g/mol
Monoisotopic Mass:
553.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.