1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine

1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine

Formula: C21H27BrN2O3

SMILES: COC1=CC=C(Br)C=C1CN1CCN(CC2=CC=C(OC)C(OC)=C2)CC1

IUPAC: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine

InChI: InChI=1S/C21H27BrN2O3/c1-25-19-7-5-18(22)13-17(19)15-24-10-8-23(9-11-24)14-16-4-6-20(26-2)21(12-16)27-3/h4-7,12-13H,8-11,14-15H2,1-3H3

Composition: C (57.94%), H (6.25%), Br (18.35%), N (6.43%), O (11.02%)

Molar Mass: 435.362

Atom Count: 54

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	434.120506
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	FZYPWPDVNVSTRA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.28
Topological Polar Surface Area	34.17
Polarizability	43.54
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H27BrN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00