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152264-74-9 | Benzonitrile,4,4'-[[2,3-dihydro-1,3-dioxo-2-(3-pyridinylmethyl)-1H-isoindol-5-yl]imino]bis-
CAS No: 152264-74-9 Catalog No: AG007JM9 MDL No:
Product Description
Catalog Number:
AG007JM9
Chemical Name:
Benzonitrile,4,4'-[[2,3-dihydro-1,3-dioxo-2-(3-pyridinylmethyl)-1H-isoindol-5-yl]imino]bis-
CAS Number:
152264-74-9
Molecular Formula:
C28H17N5O2
Molecular Weight:
455.4669
IUPAC Name:
4-(4-cyano-N-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-5-yl]anilino)benzonitrile
InChI:
InChI=1S/C28H17N5O2/c29-15-19-3-7-22(8-4-19)33(23-9-5-20(16-30)6-10-23)24-11-12-25-26(14-24)28(35)32(27(25)34)18-21-2-1-13-31-17-21/h1-14,17H,18H2
InChI Key:
VIBWDLANWLFIBU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N(c1ccc(cc1)C#N)c1ccc2c(c1)C(=O)N(C2=O)Cc1cccnc1
Properties
Complexity:
850
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.138g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
455.477g/mol
Monoisotopic Mass:
455.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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