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

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

Formula: C29H32BrN3O4

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)C2=CC(Br)=CC(C)=C2OC)=C1

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

InChI: InChI=1S/C29H32BrN3O4/c1-4-37-29(35)22-10-11-26(33-14-12-32(13-15-33)19-21-8-6-5-7-9-21)25(17-22)31-28(34)24-18-23(30)16-20(2)27(24)36-3/h5-11,16-18H,4,12-15,19H2,1-3H3,(H,31,34)

Composition: C (61.49%), H (5.69%), Br (14.10%), N (7.42%), O (11.30%)

Molar Mass: 566.496

Atom Count: 69

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	565.15762
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	FMKDABXNVSSLBF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	152.58
Topological Polar Surface Area	71.11
Polarizability	56.93
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H32BrN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00