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Home > Imidazoles > 921606-80-6
921606-80-6 | Pyridazine, 3-(1H-imidazol-1-yl)-6-[4-(3-methylphenoxy)-1-piperidinyl]-
CAS No: 921606-80-6 Catalog No: AG0064UU MDL No:
Product Description
Catalog Number:
AG0064UU
Chemical Name:
Pyridazine, 3-(1H-imidazol-1-yl)-6-[4-(3-methylphenoxy)-1-piperidinyl]-
CAS Number:
921606-80-6
Molecular Formula:
C19H21N5O
Molecular Weight:
335.4029
IUPAC Name:
3-imidazol-1-yl-6-[4-(3-methylphenoxy)piperidin-1-yl]pyridazine
InChI:
InChI=1S/C19H21N5O/c1-15-3-2-4-17(13-15)25-16-7-10-23(11-8-16)18-5-6-19(22-21-18)24-12-9-20-14-24/h2-6,9,12-14,16H,7-8,10-11H2,1H3
InChI Key:
RRCKJQMBMBSBQD-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)OC1CCN(CC1)c1ccc(nn1)n1cncc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.175g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.411g/mol
Monoisotopic Mass:
335.175g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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