ethyl 4-(4-benzoylpiperazin-1-yl)-3-(5-bromo-2-methoxybenzamido)benzoate

ethyl 4-(4-benzoylpiperazin-1-yl)-3-(5-bromo-2-methoxybenzamido)benzoate

Formula: C28H28BrN3O5

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC2)C(=O)C2=CC=CC=C2)C(NC(=O)C2=CC(Br)=CC=C2OC)=C1

IUPAC: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(5-bromo-2-methoxybenzamido)benzoate

InChI: InChI=1S/C28H28BrN3O5/c1-3-37-28(35)20-9-11-24(23(17-20)30-26(33)22-18-21(29)10-12-25(22)36-2)31-13-15-32(16-14-31)27(34)19-7-5-4-6-8-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,30,33)

Composition: C (59.37%), H (4.98%), Br (14.11%), N (7.42%), O (14.12%)

Molar Mass: 566.452

Atom Count: 65

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	565.121234
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ZNOSXRZPSGMRFI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	147.87
Topological Polar Surface Area	88.18
Polarizability	54.7
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H28BrN3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00