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128550-00-5 | 1H-Indole-3-acetamide, N-[3-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]hydroxyamino]propyl]-4-hydroxy-
CAS No: 128550-00-5 Catalog No: AG000Y6Z MDL No:
Product Description
Catalog Number:
AG000Y6Z
Chemical Name:
1H-Indole-3-acetamide, N-[3-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]hydroxyamino]propyl]-4-hydroxy-
CAS Number:
128550-00-5
Molecular Formula:
C23H40N6O3
Molecular Weight:
448.6021
IUPAC Name:
N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(4-hydroxy-1H-indol-3-yl)acetamide
InChI:
InChI=1S/C23H40N6O3/c24-9-4-12-25-10-1-2-11-26-13-5-15-29(32)16-6-14-27-22(31)17-19-18-28-20-7-3-8-21(30)23(19)20/h3,7-8,18,25-26,28,30,32H,1-2,4-6,9-17,24H2,(H,27,31)
InChI Key:
FSGGDDPNTYEPDY-UHFFFAOYSA-N
SMILES:
NCCCNCCCCNCCCN(CCCNC(=O)Cc1c[nH]c2c1c(O)ccc2)O
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.316g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
448.612g/mol
Monoisotopic Mass:
448.316g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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