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332912-55-7 | N-(4-Ethoxy-phenyl)-2-[5-(4-methoxy-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS No: 332912-55-7 Catalog No: AG01F2P8 MDL No:
Product Description
Catalog Number:
AG01F2P8
Chemical Name:
N-(4-Ethoxy-phenyl)-2-[5-(4-methoxy-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS Number:
332912-55-7
Molecular Formula:
C26H26N4O4S
Molecular Weight:
490.5740
IUPAC Name:
N-(4-ethoxyphenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
InChI:
InChI=1S/C26H26N4O4S/c1-3-33-22-11-9-19(10-12-22)27-25(31)18-35-26-29-28-24(30(26)20-7-5-4-6-8-20)17-34-23-15-13-21(32-2)14-16-23/h4-16H,3,17-18H2,1-2H3,(H,27,31)
InChI Key:
RJWAEQUYQSLHLZ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)OC
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.167g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
490.578g/mol
Monoisotopic Mass:
490.167g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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