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114688-21-0 | 1,3-Propanedione, 2-[amino(phenylamino)methylene]-1,3-diphenyl-
CAS No: 114688-21-0 Catalog No: AG000F1C MDL No:
Product Description
Catalog Number:
AG000F1C
Chemical Name:
1,3-Propanedione, 2-[amino(phenylamino)methylene]-1,3-diphenyl-
CAS Number:
114688-21-0
Molecular Formula:
C22H18N2O2
Molecular Weight:
342.3905
IUPAC Name:
2-benzoyl-3-hydroxy-N',3-diphenylprop-2-enimidamide
InChI:
InChI=1S/C22H18N2O2/c23-22(24-18-14-8-3-9-15-18)19(20(25)16-10-4-1-5-11-16)21(26)17-12-6-2-7-13-17/h1-15,25H,(H2,23,24)
InChI Key:
GUUYOCRMIJZILA-UHFFFAOYSA-N
SMILES:
NC(=C(C(=O)c1ccccc1)C(=O)c1ccccc1)Nc1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.137g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.398g/mol
Monoisotopic Mass:
342.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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