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96234-83-2 | 1,3-Benzenedicarboxamide, N,N'-bis[2-(1H-indol-3-yl)ethyl]-
CAS No: 96234-83-2 Catalog No: AG0068B8 MDL No:
Product Description
Catalog Number:
AG0068B8
Chemical Name:
1,3-Benzenedicarboxamide, N,N'-bis[2-(1H-indol-3-yl)ethyl]-
CAS Number:
96234-83-2
Molecular Formula:
C28H26N4O2
Molecular Weight:
450.5316
IUPAC Name:
1-N,3-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
InChI:
InChI=1S/C28H26N4O2/c33-27(29-14-12-21-17-31-25-10-3-1-8-23(21)25)19-6-5-7-20(16-19)28(34)30-15-13-22-18-32-26-11-4-2-9-24(22)26/h1-11,16-18,31-32H,12-15H2,(H,29,33)(H,30,34)
InChI Key:
WRHKNTSXXCKNLK-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(=O)NCCc1c[nH]c2c1cccc2)NCCc1c[nH]c2c1cccc2
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.206g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
450.542g/mol
Monoisotopic Mass:
450.206g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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