methyl 4-(4-acetylpiperazin-1-yl)-3-(3,5-dibromo-2-methoxybenzamido)benzoate

methyl 4-(4-acetylpiperazin-1-yl)-3-(3,5-dibromo-2-methoxybenzamido)benzoate

Formula: C22H23Br2N3O5

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

IUPAC: methyl 4-(4-acetylpiperazin-1-yl)-3-(3,5-dibromo-2-methoxybenzamido)benzoate

InChI: InChI=1S/C22H23Br2N3O5/c1-13(28)26-6-8-27(9-7-26)19-5-4-14(22(30)32-3)10-18(19)25-21(29)16-11-15(23)12-17(24)20(16)31-2/h4-5,10-12H,6-9H2,1-3H3,(H,25,29)

Composition: C (46.42%), H (4.07%), Br (28.07%), N (7.38%), O (14.05%)

Molar Mass: 569.25

Atom Count: 55

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	567.000447
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	SFHNOJDXOJCDAT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	130.08
Topological Polar Surface Area	88.18
Polarizability	48.38
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H23Br2N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00