methyl 4-(4-benzylpiperazin-1-yl)-3-(4-bromobenzamido)benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-(4-bromobenzamido)benzoate

Formula: C26H26BrN3O3

SMILES: COC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)C2=CC=C(Br)C=C2)=C1

IUPAC: methyl 4-(4-benzylpiperazin-1-yl)-3-(4-bromobenzamido)benzoate

InChI: InChI=1S/C26H26BrN3O3/c1-33-26(32)21-9-12-24(23(17-21)28-25(31)20-7-10-22(27)11-8-20)30-15-13-29(14-16-30)18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,28,31)

Composition: C (61.42%), H (5.15%), Br (15.72%), N (8.27%), O (9.44%)

Molar Mass: 508.416

Atom Count: 59

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	507.115755
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WAMGCWFWHBLPEJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	136.33
Topological Polar Surface Area	61.88
Polarizability	50.79
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H26BrN3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00