200,000+ products from a single source!
sales@angenechem.com
116989-73-2 | 3H-1,2,4-Triazole-3-thione, 5-[(9-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl]-2,4-dihydro-4-(4-methoxyphenyl)-
CAS No: 116989-73-2 Catalog No: AG000DHE MDL No:
Product Description
Catalog Number:
AG000DHE
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-[(9-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl]-2,4-dihydro-4-(4-methoxyphenyl)-
CAS Number:
116989-73-2
Molecular Formula:
C24H17ClN6OS
Molecular Weight:
472.9494
IUPAC Name:
3-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C24H17ClN6OS/c1-32-16-9-7-15(8-10-16)31-21(28-29-24(31)33)13-30-20-11-6-14(25)12-17(20)22-23(30)27-19-5-3-2-4-18(19)26-22/h2-12H,13H2,1H3,(H,29,33)
InChI Key:
CRXOQKIUPADUML-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(n[nH]c1=S)Cn1c2ccc(cc2c2c1nc1ccccc1n2)Cl
Properties
Complexity:
776
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.087g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
472.951g/mol
Monoisotopic Mass:
472.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.