methyl 4-(4-benzylpiperazin-1-yl)-3-(4-ethoxy-3-nitrobenzamido)benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-(4-ethoxy-3-nitrobenzamido)benzoate

Formula: C28H30N4O6

SMILES: CCOC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1=CC(=CC=C1N1CCN(CC2=CC=CC=C2)CC1)C(=O)OC

IUPAC: methyl 4-(4-benzylpiperazin-1-yl)-3-(4-ethoxy-3-nitrobenzamido)benzoate

InChI: InChI=1S/C28H30N4O6/c1-3-38-26-12-10-21(18-25(26)32(35)36)27(33)29-23-17-22(28(34)37-2)9-11-24(23)31-15-13-30(14-16-31)19-20-7-5-4-6-8-20/h4-12,17-18H,3,13-16,19H2,1-2H3,(H,29,33)

Composition: C (64.85%), H (5.83%), N (10.80%), O (18.51%)

Molar Mass: 518.57

Atom Count: 68

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	518.216534702
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	LOIYGXORECHQHZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	146.24
Topological Polar Surface Area	114.25
Polarizability	54.33
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H30N4O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00