200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 332912-81-9
332912-81-9 | 2-[5-(4-Methoxy-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2-trifluoromethyl-phenyl)-acetamide
CAS No: 332912-81-9 Catalog No: AG01EVCT MDL No:
Product Description
Catalog Number:
AG01EVCT
Chemical Name:
2-[5-(4-Methoxy-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2-trifluoromethyl-phenyl)-acetamide
CAS Number:
332912-81-9
Molecular Formula:
C25H21F3N4O3S
Molecular Weight:
514.5194
IUPAC Name:
2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C25H21F3N4O3S/c1-34-18-11-13-19(14-12-18)35-15-22-30-31-24(32(22)17-7-3-2-4-8-17)36-16-23(33)29-21-10-6-5-9-20(21)25(26,27)28/h2-14H,15-16H2,1H3,(H,29,33)
InChI Key:
DMFKTEVXDCSONJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCc1nnc(n1c1ccccc1)SCC(=O)Nc1ccccc1C(F)(F)F
Properties
Complexity:
690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.129g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
514.523g/mol
Monoisotopic Mass:
514.129g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Related Products
© 2019 Angene International Limited. All rights Reserved.