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96234-79-6 | Pentanediamide, N,N'-bis[2-(1H-indol-3-yl)ethyl]-
CAS No: 96234-79-6 Catalog No: AG006SE9 MDL No:
Product Description
Catalog Number:
AG006SE9
Chemical Name:
Pentanediamide, N,N'-bis[2-(1H-indol-3-yl)ethyl]-
CAS Number:
96234-79-6
Molecular Formula:
C25H28N4O2
Molecular Weight:
416.5154
IUPAC Name:
N,N'-bis[2-(1H-indol-3-yl)ethyl]pentanediamide
InChI:
InChI=1S/C25H28N4O2/c30-24(26-14-12-18-16-28-22-8-3-1-6-20(18)22)10-5-11-25(31)27-15-13-19-17-29-23-9-4-2-7-21(19)23/h1-4,6-9,16-17,28-29H,5,10-15H2,(H,26,30)(H,27,31)
InChI Key:
UNHSKJHAEKPPPR-UHFFFAOYSA-N
SMILES:
O=C(NCCc1c[nH]c2c1cccc2)CCCC(=O)NCCc1c[nH]c2c1cccc2
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.221g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
416.525g/mol
Monoisotopic Mass:
416.221g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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