2-butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-amine; oxalic acid

2-butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-amine; oxalic acid

CAS: 500791-70-8

Formula: C32H44N2O7

SMILES: OC(=O)C(O)=O.CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=CC=C(N)C=C12

IUPAC: 2-butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-amine; oxalic acid

InChI: InChI=1S/C30H42N2O3.C2H2O4/c1-4-7-11-28-29(26-22-24(31)14-17-27(26)35-28)30(33)23-12-15-25(16-13-23)34-21-10-20-32(18-8-5-2)19-9-6-3;3-1(4)2(5)6/h12-17,22H,4-11,18-21,31H2,1-3H3;(H,3,4)(H,5,6)

Composition: C (67.58%), H (7.80%), N (4.93%), O (19.69%)

Molar Mass: 568.711

Atom Count: 85

Heavy Atom Count: 41

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	568.314851765
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VJVFIQVIPOMHOP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	146.15
Topological Polar Surface Area	68.7
Polarizability	57.3
Ring Count	3
Rotatable Bond Count	17

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	500791-70-8		$39.09-$359.39$39.09$44.14$85.75$209.33$359.39