CAS 147508-58-5 | 3-(4-methoxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one | CAS Number 147508-58-5

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147508-58-5 | 3-(4-methoxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one

CAS No: 147508-58-5 Catalog No: AG00IRPI MDL No:MFCD00232431

Product Description

Catalog Number:

AG00IRPI

Chemical Name:

3-(4-methoxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one

CAS Number:

147508-58-5

Molecular Formula:

C18H12N2O2

Molecular Weight:

288.3001

MDL Number:

MFCD00232431

IUPAC Name:

3-(4-methoxyphenyl)indeno[1,2-c]pyridazin-5-one

InChI:

InChI=1S/C18H12N2O2/c1-22-12-8-6-11(7-9-12)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3

InChI Key:

HXQRIHGYIOARQJ-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)c1nnc2c(c1)C(=O)c1c2cccc1

NSC Number:

663884

Properties

Complexity:

419

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.306g/mol

Monoisotopic Mass:

288.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Impact of species-dependent differences on screening, design, and development of MAO B inhibitors.	Journal of medicinal chemistry 20061019
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501