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921606-64-6 | Pyridazine, 3-[4-(2-bromophenoxy)-1-piperidinyl]-6-(1H-imidazol-1-yl)-
CAS No: 921606-64-6 Catalog No: AG0064UV MDL No:
Product Description
Catalog Number:
AG0064UV
Chemical Name:
Pyridazine, 3-[4-(2-bromophenoxy)-1-piperidinyl]-6-(1H-imidazol-1-yl)-
CAS Number:
921606-64-6
Molecular Formula:
C18H18BrN5O
Molecular Weight:
400.2724
IUPAC Name:
3-[4-(2-bromophenoxy)piperidin-1-yl]-6-imidazol-1-ylpyridazine
InChI:
InChI=1S/C18H18BrN5O/c19-15-3-1-2-4-16(15)25-14-7-10-23(11-8-14)17-5-6-18(22-21-17)24-12-9-20-13-24/h1-6,9,12-14H,7-8,10-11H2
InChI Key:
QIUUVUPYIDGDII-UHFFFAOYSA-N
SMILES:
Brc1ccccc1OC1CCN(CC1)c1ccc(nn1)n1cncc1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.069g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.28g/mol
Monoisotopic Mass:
399.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activity of a potent and orally bioavailable SCD inhibitor (MF-438). | Bioorganic & medicinal chemistry letters 20100115 |
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