CAS 83991-25-7 | Methanone,(4-aminophenyl)[7-(phenylmethyl)-3,7-diazabicyclo[3.3.1]non-3-yl]- | CAS Number 83991-25-7

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83991-25-7 | Methanone,(4-aminophenyl)[7-(phenylmethyl)-3,7-diazabicyclo[3.3.1]non-3-yl]-

CAS No: 83991-25-7 Catalog No: AG004QIS MDL No:

Product Description

Catalog Number:

AG004QIS

Chemical Name:

Methanone,(4-aminophenyl)[7-(phenylmethyl)-3,7-diazabicyclo[3.3.1]non-3-yl]-

CAS Number:

83991-25-7

Molecular Formula:

C21H25N3O

Molecular Weight:

335.4427

IUPAC Name:

(4-aminophenyl)-(7-benzyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

InChI:

InChI=1S/C21H25N3O/c22-20-8-6-19(7-9-20)21(25)24-14-17-10-18(15-24)13-23(12-17)11-16-4-2-1-3-5-16/h1-9,17-18H,10-15,22H2

InChI Key:

DLNAKYFPFYUBDR-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1)C(=O)N1CC2CN(CC(C1)C2)Cc1ccccc1

Properties

Complexity:

440

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

335.2g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

335.451g/mol

Monoisotopic Mass:

335.2g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
New antiarrhythmic drugs for the treatment of atrial fibrillation.	Pacing and clinical electrophysiology : PACE 20020201
3,8-diazabicyclo--[3.2.1]-octane derivatives as analogues of ambasilide, a Class III antiarrhythmic agent.	European journal of medicinal chemistry 20010601