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332101-64-1 | N-(3,4-Dimethyl-phenyl)-2-(4-phenyl-1H-imidazol-2-ylsulfanyl)-propionamide
CAS No: 332101-64-1 Catalog No: AG01F4JS MDL No:
Product Description
Catalog Number:
AG01F4JS
Chemical Name:
N-(3,4-Dimethyl-phenyl)-2-(4-phenyl-1H-imidazol-2-ylsulfanyl)-propionamide
CAS Number:
332101-64-1
Molecular Formula:
C20H21N3OS
Molecular Weight:
351.4652
IUPAC Name:
N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propanamide
InChI:
InChI=1S/C20H21N3OS/c1-13-9-10-17(11-14(13)2)22-19(24)15(3)25-20-21-12-18(23-20)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,21,23)(H,22,24)
InChI Key:
MDJGTJZBAXYBOL-UHFFFAOYSA-N
SMILES:
O=C(C(Sc1[nH]cc(n1)c1ccccc1)C)Nc1ccc(c(c1)C)C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.141g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.468g/mol
Monoisotopic Mass:
351.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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