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210469-26-4

210469-26-4 | 1-Heptanone, 7-[2-[(6-aminohexyl)amino]-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-

CAS No: 210469-26-4 Catalog No: AG002KSQ MDL No:

Product Description

Catalog Number:
AG002KSQ
Chemical Name:
1-Heptanone, 7-[2-[(6-aminohexyl)amino]-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-
CAS Number:
210469-26-4
Molecular Formula:
C26H37N5O
Molecular Weight:
435.6049
IUPAC Name:
7-[2-(6-aminohexylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one
InChI:
InChI=1S/C26H37N5O/c1-21-23-17-18-25(28-20-12-5-4-11-19-27)30-31(23)26(29-21)16-10-3-2-9-15-24(32)22-13-7-6-8-14-22/h6-8,13-14,17-18H,2-5,9-12,15-16,19-20,27H2,1H3,(H,28,30)
InChI Key:
PWUCPVNVJBAGKR-UHFFFAOYSA-N
SMILES:
NCCCCCCNc1ccc2n(n1)c(CCCCCCC(=O)c1ccccc1)nc2C

Properties

Complexity:
524  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.3g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
435.616g/mol
Monoisotopic Mass:
435.3g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

Literature

Title Journal
Imidazo[1,5-b]pyridazine-d4T conjugates: synthesis and anti-human immunodeficiency virus evaluation. Antiviral chemistry & chemotherapy 19980501

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