ethyl 4-(4-benzoylpiperazin-1-yl)-3-(4-methyl-3-nitrobenzamido)benzoate

ethyl 4-(4-benzoylpiperazin-1-yl)-3-(4-methyl-3-nitrobenzamido)benzoate

Formula: C28H28N4O6

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC2)C(=O)C2=CC=CC=C2)C(NC(=O)C2=CC=C(C)C(=C2)[N+]([O-])=O)=C1

IUPAC: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(4-methyl-3-nitrobenzamido)benzoate

InChI: InChI=1S/C28H28N4O6/c1-3-38-28(35)22-11-12-24(30-13-15-31(16-14-30)27(34)20-7-5-4-6-8-20)23(17-22)29-26(33)21-10-9-19(2)25(18-21)32(36)37/h4-12,17-18H,3,13-16H2,1-2H3,(H,29,33)

Composition: C (65.11%), H (5.46%), N (10.85%), O (18.58%)

Molar Mass: 516.554

Atom Count: 66

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	516.200884638
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	VJILMXODYKFLSV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	145.15
Topological Polar Surface Area	122.09
Polarizability	53.07
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H28N4O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00