200,000+ products from a single source!
sales@angenechem.com
116989-79-8 | Acetic acid, 2-[[4-(4-bromophenyl)-5-(6H-indolo[2,3-b]quinoxalin-6-ylmethyl)-4H-1,2,4-triazol-3-yl]thio]-
CAS No: 116989-79-8 Catalog No: AG000DH9 MDL No:
Product Description
Catalog Number:
AG000DH9
Chemical Name:
Acetic acid, 2-[[4-(4-bromophenyl)-5-(6H-indolo[2,3-b]quinoxalin-6-ylmethyl)-4H-1,2,4-triazol-3-yl]thio]-
CAS Number:
116989-79-8
Molecular Formula:
C25H17BrN6O2S
Molecular Weight:
545.4105
IUPAC Name:
2-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
InChI:
InChI=1S/C25H17BrN6O2S/c26-15-9-11-16(12-10-15)32-21(29-30-25(32)35-14-22(33)34)13-31-20-8-4-1-5-17(20)23-24(31)28-19-7-3-2-6-18(19)27-23/h1-12H,13-14H2,(H,33,34)
InChI Key:
ZGYIEAGZWWSCOI-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nnc(n1c1ccc(cc1)Br)Cn1c2ccccc2c2c1nc1ccccc1n2
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.032g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
545.415g/mol
Monoisotopic Mass:
544.032g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.