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189081-52-5 | Benzamide, N-[2,2-bis(phenylthio)ethenyl]-2-bromo-N-methyl-
CAS No: 189081-52-5 Catalog No: AG002HTQ MDL No:
Product Description
Catalog Number:
AG002HTQ
Chemical Name:
Benzamide, N-[2,2-bis(phenylthio)ethenyl]-2-bromo-N-methyl-
CAS Number:
189081-52-5
Molecular Formula:
C22H18BrNOS2
Molecular Weight:
456.4184
IUPAC Name:
N-[2,2-bis(phenylsulfanyl)ethenyl]-2-bromo-N-methylbenzamide
InChI:
InChI=1S/C22H18BrNOS2/c1-24(22(25)19-14-8-9-15-20(19)23)16-21(26-17-10-4-2-5-11-17)27-18-12-6-3-7-13-18/h2-16H,1H3
InChI Key:
RDEGVNKCFXTNLT-UHFFFAOYSA-N
SMILES:
Brc1ccccc1C(=O)N(C=C(Sc1ccccc1)Sc1ccccc1)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.001g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.416g/mol
Monoisotopic Mass:
455.001g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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