200,000+ products from a single source!
sales@angenechem.com
119457-14-6 | 3H-Pyrazol-3-one, 2-[2-(2-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-2,4-dihydro-4-[(4-methoxyphenyl)methylene]-5-methyl-
CAS No: 119457-14-6 Catalog No: AG000ITL MDL No:
Product Description
Catalog Number:
AG000ITL
Chemical Name:
3H-Pyrazol-3-one, 2-[2-(2-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-2,4-dihydro-4-[(4-methoxyphenyl)methylene]-5-methyl-
CAS Number:
119457-14-6
Molecular Formula:
C28H20ClN5O3
Molecular Weight:
509.9431
IUPAC Name:
2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[(4-methoxyphenyl)methylidene]-5-methylpyrazol-3-one
InChI:
InChI=1S/C28H20ClN5O3/c1-16-21(13-17-7-10-19(37-2)11-8-17)28(36)34(32-16)25(35)15-33-24-6-4-3-5-20(24)26-27(33)31-22-12-9-18(29)14-23(22)30-26/h3-14H,15H2,1-2H3
InChI Key:
ZMQIYWJHYGRLAL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C1C(=NN(C1=O)C(=O)Cn1c2ccccc2c2c1nc1ccc(cc1n2)Cl)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:
509.125g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
509.95g/mol
Monoisotopic Mass:
509.125g/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.