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210469-28-6 | 1-Heptanone, 7-[2-[(10-aminodecyl)amino]-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-
CAS No: 210469-28-6 Catalog No: AG002KSO MDL No:
Product Description
Catalog Number:
AG002KSO
Chemical Name:
1-Heptanone, 7-[2-[(10-aminodecyl)amino]-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-
CAS Number:
210469-28-6
Molecular Formula:
C30H45N5O
Molecular Weight:
491.7112
IUPAC Name:
7-[2-(10-aminodecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one
InChI:
InChI=1S/C30H45N5O/c1-25-27-21-22-29(32-24-16-9-5-3-2-4-8-15-23-31)34-35(27)30(33-25)20-14-7-6-13-19-28(36)26-17-11-10-12-18-26/h10-12,17-18,21-22H,2-9,13-16,19-20,23-24,31H2,1H3,(H,32,34)
InChI Key:
XPENDUCRFNZAFM-UHFFFAOYSA-N
SMILES:
NCCCCCCCCCCNc1ccc2n(n1)c(CCCCCCC(=O)c1ccccc1)nc2C
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.362g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
491.724g/mol
Monoisotopic Mass:
491.362g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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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