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Home > Indoles and Oxindole > 87520-03-4
87520-03-4 | 2,5-Pyrrolidinedione, 1-[2-(1H-indol-3-yl)-2-phenylethyl]-
CAS No: 87520-03-4 Catalog No: AG004HAR MDL No:
Product Description
Catalog Number:
AG004HAR
Chemical Name:
2,5-Pyrrolidinedione, 1-[2-(1H-indol-3-yl)-2-phenylethyl]-
CAS Number:
87520-03-4
Molecular Formula:
C20H18N2O2
Molecular Weight:
318.3691
IUPAC Name:
1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C20H18N2O2/c23-19-10-11-20(24)22(19)13-17(14-6-2-1-3-7-14)16-12-21-18-9-5-4-8-15(16)18/h1-9,12,17,21H,10-11,13H2
InChI Key:
VVXWVKAWGHMVLQ-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1CC(c1c[nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.376g/mol
Monoisotopic Mass:
318.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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