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Home > Imidazoles > 828265-48-1
828265-48-1 | 5H-Indeno[1,2-c]pyridazin-5-one, 3-(1H-imidazol-1-ylmethyl)-
CAS No: 828265-48-1 Catalog No: AG0055UF MDL No:
Product Description
Catalog Number:
AG0055UF
Chemical Name:
5H-Indeno[1,2-c]pyridazin-5-one, 3-(1H-imidazol-1-ylmethyl)-
CAS Number:
828265-48-1
Molecular Formula:
C15H10N4O
Molecular Weight:
262.2661
IUPAC Name:
3-(imidazol-1-ylmethyl)indeno[1,2-c]pyridazin-5-one
InChI:
InChI=1S/C15H10N4O/c20-15-12-4-2-1-3-11(12)14-13(15)7-10(17-18-14)8-19-6-5-16-9-19/h1-7,9H,8H2
InChI Key:
GFPNFJWMHLRZIW-UHFFFAOYSA-N
SMILES:
O=C1c2cc(nnc2c2c1cccc2)Cn1cncc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.272g/mol
Monoisotopic Mass:
262.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. | Journal of medicinal chemistry 20090108 |
| Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors. | Journal of medicinal chemistry 20041230 |
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