200,000+ products from a single source!
sales@angenechem.com
332870-65-2 | 2-[5-(2-Bromo-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-ethoxy-phenyl)-acetamide
CAS No: 332870-65-2 Catalog No: AG01EVBD MDL No:
Product Description
Catalog Number:
AG01EVBD
Chemical Name:
2-[5-(2-Bromo-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-ethoxy-phenyl)-acetamide
CAS Number:
332870-65-2
Molecular Formula:
C24H21BrN4O2S
Molecular Weight:
509.4181
IUPAC Name:
2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
InChI:
InChI=1S/C24H21BrN4O2S/c1-2-31-19-14-12-17(13-15-19)26-22(30)16-32-24-28-27-23(20-10-6-7-11-21(20)25)29(24)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,26,30)
InChI Key:
HZKBJGPWAPBWHV-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)c1ccccc1Br
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.057g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
509.422g/mol
Monoisotopic Mass:
508.057g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.