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105706-56-7 | 2,5-Pyrrolidinedione, 1-(4-methylphenyl)-3-pyrido[2,1-a]isoindol-6-yl-
CAS No: 105706-56-7 Catalog No: AG007X1M MDL No:
Product Description
Catalog Number:
AG007X1M
Chemical Name:
2,5-Pyrrolidinedione, 1-(4-methylphenyl)-3-pyrido[2,1-a]isoindol-6-yl-
CAS Number:
105706-56-7
Molecular Formula:
C23H18N2O2
Molecular Weight:
354.4012
IUPAC Name:
1-(4-methylphenyl)-3-pyrido[1,2-b]isoindol-6-ylpyrrolidine-2,5-dione
InChI:
InChI=1S/C23H18N2O2/c1-15-9-11-16(12-10-15)25-21(26)14-19(23(25)27)22-18-7-3-2-6-17(18)20-8-4-5-13-24(20)22/h2-13,19H,14H2,1H3
InChI Key:
GVPIYBGOZONRNN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1C(=O)CC(C1=O)c1c2ccccc2c2n1cccc2
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.137g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.409g/mol
Monoisotopic Mass:
354.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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