methyl 4-(4-benzylpiperazin-1-yl)-3-[2-(4-bromophenoxy)acetamido]benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-[2-(4-bromophenoxy)acetamido]benzoate

Formula: C27H28BrN3O4

SMILES: COC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)COC2=CC=C(Br)C=C2)=C1

IUPAC: methyl 4-(4-benzylpiperazin-1-yl)-3-[2-(4-bromophenoxy)acetamido]benzoate

InChI: InChI=1S/C27H28BrN3O4/c1-34-27(33)21-7-12-25(31-15-13-30(14-16-31)18-20-5-3-2-4-6-20)24(17-21)29-26(32)19-35-23-10-8-22(28)9-11-23/h2-12,17H,13-16,18-19H2,1H3,(H,29,32)

Composition: C (60.23%), H (5.24%), Br (14.84%), N (7.80%), O (11.89%)

Molar Mass: 538.442

Atom Count: 63

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	537.126319
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	GATHXPVFDOFDCN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	141.62
Topological Polar Surface Area	71.11
Polarizability	53.35
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H28BrN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00