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Home > Pyridines > 647845-29-2
647845-29-2 | 6H-Pyrrolo[3,4-d]pyridazine, 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentyl-
CAS No: 647845-29-2 Catalog No: AG00H6HW MDL No:
Product Description
Catalog Number:
AG00H6HW
Chemical Name:
6H-Pyrrolo[3,4-d]pyridazine, 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentyl-
CAS Number:
647845-29-2
Molecular Formula:
C22H29N3O
Molecular Weight:
351.4852
IUPAC Name:
6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pentylpyrrolo[3,4-d]pyridazine
InChI:
InChI=1S/C22H29N3O/c1-6-8-9-10-20-22-17(5)25(16(4)21(22)15(3)23-24-20)18-11-13-19(14-12-18)26-7-2/h11-14H,6-10H2,1-5H3
InChI Key:
YEHRCHDUUNSBJA-UHFFFAOYSA-N
SMILES:
CCCCCc1nnc(c2c1c(C)n(c2C)c1ccc(cc1)OCC)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.231g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.494g/mol
Monoisotopic Mass:
351.231g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of 6-aryl-6H-pyrrolo[3,4-d]pyridazine derivatives: high-affinity ligands to the alpha 2 delta subunit of voltage gated calcium channels. | Bioorganic & medicinal chemistry letters 20040308 |
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