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210469-27-5 | 1-Heptanone, 7-[2-[(8-aminooctyl)amino]-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-
CAS No: 210469-27-5 Catalog No: AG002KSP MDL No:
Product Description
Catalog Number:
AG002KSP
Chemical Name:
1-Heptanone, 7-[2-[(8-aminooctyl)amino]-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-
CAS Number:
210469-27-5
Molecular Formula:
C28H41N5O
Molecular Weight:
463.6580
IUPAC Name:
7-[2-(8-aminooctylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one
InChI:
InChI=1S/C28H41N5O/c1-23-25-19-20-27(30-22-14-7-3-2-6-13-21-29)32-33(25)28(31-23)18-12-5-4-11-17-26(34)24-15-9-8-10-16-24/h8-10,15-16,19-20H,2-7,11-14,17-18,21-22,29H2,1H3,(H,30,32)
InChI Key:
CCXFKQISUVBZSY-UHFFFAOYSA-N
SMILES:
NCCCCCCCCNc1ccc2n(n1)c(CCCCCCC(=O)c1ccccc1)nc2C
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.331g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
463.67g/mol
Monoisotopic Mass:
463.331g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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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