200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 116989-69-6
116989-69-6 | 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(6H-indolo[2,3-b]quinoxalin-6-ylmethyl)-4-(4-methoxyphenyl)-
CAS No: 116989-69-6 Catalog No: AG000DG5 MDL No:
Product Description
Catalog Number:
AG000DG5
Chemical Name:
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(6H-indolo[2,3-b]quinoxalin-6-ylmethyl)-4-(4-methoxyphenyl)-
CAS Number:
116989-69-6
Molecular Formula:
C24H18N6OS
Molecular Weight:
438.5043
IUPAC Name:
3-(indolo[3,2-b]quinoxalin-6-ylmethyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C24H18N6OS/c1-31-16-12-10-15(11-13-16)30-21(27-28-24(30)32)14-29-20-9-5-2-6-17(20)22-23(29)26-19-8-4-3-7-18(19)25-22/h2-13H,14H2,1H3,(H,28,32)
InChI Key:
NQIXXVLKGYDXER-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(=S)[nH]nc1Cn1c2ccccc2c2c1nc1ccccc1n2
Properties
Complexity:
740
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.126g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.509g/mol
Monoisotopic Mass:
438.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.