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820237-41-0 | 3,5-Pyrazolidinedione, 4-[(2,4-dipropoxyphenyl)methylene]-1-phenyl-
CAS No: 820237-41-0 Catalog No: AG0053CA MDL No:
Product Description
Catalog Number:
AG0053CA
Chemical Name:
3,5-Pyrazolidinedione, 4-[(2,4-dipropoxyphenyl)methylene]-1-phenyl-
CAS Number:
820237-41-0
Molecular Formula:
C22H24N2O4
Molecular Weight:
380.4370
IUPAC Name:
4-[(2,4-dipropoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
InChI:
InChI=1S/C22H24N2O4/c1-3-12-27-18-11-10-16(20(15-18)28-13-4-2)14-19-21(25)23-24(22(19)26)17-8-6-5-7-9-17/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,25)
InChI Key:
FPYGHGYJAWWIKF-UHFFFAOYSA-N
SMILES:
CCCOc1cc(OCCC)ccc1C=C1C(=O)NN(C1=O)c1ccccc1
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.174g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.444g/mol
Monoisotopic Mass:
380.174g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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