200,000+ products from a single source!
sales@angenechem.com
119457-21-5 | 3H-Pyrazol-3-one, 2-[2-(2-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-2,4-dihydro-5-methyl-4-[1-(4-methylphenyl)ethylidene]-
CAS No: 119457-21-5 Catalog No: AG000ITF MDL No:
Product Description
Catalog Number:
AG000ITF
Chemical Name:
3H-Pyrazol-3-one, 2-[2-(2-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-2,4-dihydro-5-methyl-4-[1-(4-methylphenyl)ethylidene]-
CAS Number:
119457-21-5
Molecular Formula:
C29H22ClN5O2
Molecular Weight:
507.9703
IUPAC Name:
2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-5-methyl-4-[1-(4-methylphenyl)ethylidene]pyrazol-3-one
InChI:
InChI=1S/C29H22ClN5O2/c1-16-8-10-19(11-9-16)17(2)26-18(3)33-35(29(26)37)25(36)15-34-24-7-5-4-6-21(24)27-28(34)32-22-13-12-20(30)14-23(22)31-27/h4-14H,15H2,1-3H3
InChI Key:
KRCPAMYGDLKMNP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=C1C(=NN(C1=O)C(=O)Cn1c2ccccc2c2c1nc1ccc(cc1n2)Cl)C)C
Properties
Complexity:
989
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.146g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
507.978g/mol
Monoisotopic Mass:
507.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.