2-[(3S)-1-[2-(1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide

2-[(3S)-1-[2-(1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide

CAS: 943034-52-4

Formula: C28H29BrN2O2

SMILES: Br.[H][C@]1(CCN(CCC2=CC=C3OC=CC3=C2)C1)C(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 2-[(3S)-1-[2-(1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide

InChI: InChI=1S/C28H28N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,15,18-19,25H,13-14,16-17,20H2,(H2,29,31);1H/t25-;/m1./s1

Composition: C (66.54%), H (5.78%), Br (15.81%), N (5.54%), O (6.33%)

Molar Mass: 505.456

Atom Count: 62

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	504.141241
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	TZKYUWQSYFUAIX-VQIWEWKSSA-N
Lipinski's Rule of Five
Molar Refractivity	127.44
Topological Polar Surface Area	59.47
Polarizability	50.62
Ring Count	5
Rotatable Bond Count	7

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97%	<14 Days	943034-52-4		$118.32-$1,293.36$118.32$164.22$1,293.36