2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

CAS: 133034-07-8

Formula: C28H28N2O3

SMILES: [H][C@]1(CCN(CC(=O)C2=CC3=C(OCC3)C=C2)C1)C(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1

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

InChI: InChI=1S/C28H28N2O3/c29-27(32)28(22-7-3-1-4-8-22,23-9-5-2-6-10-23)24-13-15-30(18-24)19-25(31)20-11-12-26-21(17-20)14-16-33-26/h1-12,17,24H,13-16,18-19H2,(H2,29,32)/t24-/m1/s1

Composition: C (76.34%), H (6.41%), N (6.36%), O (10.89%)

Molar Mass: 440.543

Atom Count: 61

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	440.20999277
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CDSQQCASGRQGNT-XMMPIXPASA-N
Lipinski's Rule of Five	1
Molar Refractivity	128.91
Topological Polar Surface Area	72.63
Polarizability	49.86
Ring Count	5
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	133034-07-8		$335.58-$1,924.74$335.58$535.50$1,088.34$1,924.74