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332912-84-2 | N-(2-Ethyl-6-methyl-phenyl)-2-[5-(4-methoxy-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS No: 332912-84-2 Catalog No: AG01F2KD MDL No:
Product Description
Catalog Number:
AG01F2KD
Chemical Name:
N-(2-Ethyl-6-methyl-phenyl)-2-[5-(4-methoxy-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS Number:
332912-84-2
Molecular Formula:
C27H28N4O3S
Molecular Weight:
488.6012
IUPAC Name:
N-(2-ethyl-6-methylphenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
InChI:
InChI=1S/C27H28N4O3S/c1-4-20-10-8-9-19(2)26(20)28-25(32)18-35-27-30-29-24(31(27)21-11-6-5-7-12-21)17-34-23-15-13-22(33-3)14-16-23/h5-16H,4,17-18H2,1-3H3,(H,28,32)
InChI Key:
FDWGBGQFBAMHNU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCc1nnc(n1c1ccccc1)SCC(=O)Nc1c(C)cccc1CC
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.188g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
488.606g/mol
Monoisotopic Mass:
488.188g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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