ethyl 4-(4-benzylpiperazin-1-yl)-3-(5-bromo-2-chlorobenzamido)benzoate

ethyl 4-(4-benzylpiperazin-1-yl)-3-(5-bromo-2-chlorobenzamido)benzoate

Formula: C27H27BrClN3O3

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)C2=CC(Br)=CC=C2Cl)=C1

IUPAC: ethyl 4-(4-benzylpiperazin-1-yl)-3-(5-bromo-2-chlorobenzamido)benzoate

InChI: InChI=1S/C27H27BrClN3O3/c1-2-35-27(34)20-8-11-25(24(16-20)30-26(33)22-17-21(28)9-10-23(22)29)32-14-12-31(13-15-32)18-19-6-4-3-5-7-19/h3-11,16-17H,2,12-15,18H2,1H3,(H,30,33)

Composition: C (58.23%), H (4.89%), Br (14.35%), Cl (6.37%), N (7.55%), O (8.62%)

Molar Mass: 556.89

Atom Count: 62

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	555.092432
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OFECKPXXQXNJLL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	145.88
Topological Polar Surface Area	61.88
Polarizability	54.55
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H27BrClN3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00