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332912-62-6 | N-(4-Chloro-phenyl)-2-[5-(4-methoxy-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS No: 332912-62-6 Catalog No: AG01F2PA MDL No:
Product Description
Catalog Number:
AG01F2PA
Chemical Name:
N-(4-Chloro-phenyl)-2-[5-(4-methoxy-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS Number:
332912-62-6
Molecular Formula:
C24H21ClN4O3S
Molecular Weight:
480.9665
IUPAC Name:
N-(4-chlorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
InChI:
InChI=1S/C24H21ClN4O3S/c1-31-20-11-13-21(14-12-20)32-15-22-27-28-24(29(22)19-5-3-2-4-6-19)33-16-23(30)26-18-9-7-17(25)8-10-18/h2-14H,15-16H2,1H3,(H,26,30)
InChI Key:
TWLIESYEVGXLME-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCc1nnc(n1c1ccccc1)SCC(=O)Nc1ccc(cc1)Cl
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.102g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
480.967g/mol
Monoisotopic Mass:
480.102g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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