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332912-72-8 | N-(4-Acetyl-phenyl)-2-[5-(4-methoxy-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS No: 332912-72-8 Catalog No: AG01F2PB MDL No:
Product Description
Catalog Number:
AG01F2PB
Chemical Name:
N-(4-Acetyl-phenyl)-2-[5-(4-methoxy-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS Number:
332912-72-8
Molecular Formula:
C26H24N4O4S
Molecular Weight:
488.5582
IUPAC Name:
N-(4-acetylphenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
InChI:
InChI=1S/C26H24N4O4S/c1-18(31)19-8-10-20(11-9-19)27-25(32)17-35-26-29-28-24(30(26)21-6-4-3-5-7-21)16-34-23-14-12-22(33-2)13-15-23/h3-15H,16-17H2,1-2H3,(H,27,32)
InChI Key:
DOLWDHARFRCNFT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCc1nnc(n1c1ccccc1)SCC(=O)Nc1ccc(cc1)C(=O)C
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.152g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
488.562g/mol
Monoisotopic Mass:
488.152g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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