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295346-89-3 | Benzamide, N-[2,2-bis[(4-chlorophenyl)thio]-1-cyanoethenyl]-4-methyl-
CAS No: 295346-89-3 Catalog No: AG002YOH MDL No:
Product Description
Catalog Number:
AG002YOH
Chemical Name:
Benzamide, N-[2,2-bis[(4-chlorophenyl)thio]-1-cyanoethenyl]-4-methyl-
CAS Number:
295346-89-3
Molecular Formula:
C23H16Cl2N2OS2
Molecular Weight:
471.4219
IUPAC Name:
N-[2,2-bis[(4-chlorophenyl)sulfanyl]-1-cyanoethenyl]-4-methylbenzamide
InChI:
InChI=1S/C23H16Cl2N2OS2/c1-15-2-4-16(5-3-15)22(28)27-21(14-26)23(29-19-10-6-17(24)7-11-19)30-20-12-8-18(25)9-13-20/h2-13H,1H3,(H,27,28)
InChI Key:
PTSQBMFHAKCUBO-UHFFFAOYSA-N
SMILES:
N#CC(=C(Sc1ccc(cc1)Cl)Sc1ccc(cc1)Cl)NC(=O)c1ccc(cc1)C
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.008g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
471.414g/mol
Monoisotopic Mass:
470.008g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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