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162334-37-4 | 2,3-Pyrrolidinedione, 4-benzoyl-1-(4-methylphenyl)-5-thioxo-
CAS No: 162334-37-4 Catalog No: AG001T08 MDL No:
Product Description
Catalog Number:
AG001T08
Chemical Name:
2,3-Pyrrolidinedione, 4-benzoyl-1-(4-methylphenyl)-5-thioxo-
CAS Number:
162334-37-4
Molecular Formula:
C18H13NO3S
Molecular Weight:
323.3657
IUPAC Name:
4-benzoyl-1-(4-methylphenyl)-5-sulfanylidenepyrrolidine-2,3-dione
InChI:
InChI=1S/C18H13NO3S/c1-11-7-9-13(10-8-11)19-17(22)16(21)14(18(19)23)15(20)12-5-3-2-4-6-12/h2-10,14H,1H3
InChI Key:
CYVAALORFYAZEG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1C(=O)C(=O)C(C1=S)C(=O)c1ccccc1
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.062g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.366g/mol
Monoisotopic Mass:
323.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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