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83375-45-5 | Butanamide, 3-chloro-2-methyl-N-(phenylmethyl)-2-(phenylthio)-
CAS No: 83375-45-5 Catalog No: AG0054LU MDL No:
Product Description
Catalog Number:
AG0054LU
Chemical Name:
Butanamide, 3-chloro-2-methyl-N-(phenylmethyl)-2-(phenylthio)-
CAS Number:
83375-45-5
Molecular Formula:
C18H20ClNOS
Molecular Weight:
333.8755
IUPAC Name:
N-benzyl-3-chloro-2-methyl-2-phenylsulfanylbutanamide
InChI:
InChI=1S/C18H20ClNOS/c1-14(19)18(2,22-16-11-7-4-8-12-16)17(21)20-13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,20,21)
InChI Key:
XDHNJXRHIPQRBJ-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)NCc1ccccc1)(Sc1ccccc1)C)Cl
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.874g/mol
Monoisotopic Mass:
333.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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