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Home > Fluorides > 333312-63-3
333312-63-3 | 2-[5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(3-trifluoromethyl-phenyl)-acetamide
CAS No: 333312-63-3 Catalog No: AG01EVE2 MDL No:
Product Description
Catalog Number:
AG01EVE2
Chemical Name:
2-[5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(3-trifluoromethyl-phenyl)-acetamide
CAS Number:
333312-63-3
Molecular Formula:
C19H17F3N4O2S
Molecular Weight:
422.4241
IUPAC Name:
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C19H17F3N4O2S/c1-26-17(14-8-3-4-9-15(14)28-2)24-25-18(26)29-11-16(27)23-13-7-5-6-12(10-13)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,27)
InChI Key:
NWDKSVJKRLFPPJ-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1nnc(n1C)SCC(=O)Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.102g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.426g/mol
Monoisotopic Mass:
422.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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