ethyl 4-(4-benzoylpiperazin-1-yl)-3-[2-(2-nitrophenoxy)acetamido]benzoate

ethyl 4-(4-benzoylpiperazin-1-yl)-3-[2-(2-nitrophenoxy)acetamido]benzoate

Formula: C28H28N4O7

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC2)C(=O)C2=CC=CC=C2)C(NC(=O)COC2=CC=CC=C2[N+]([O-])=O)=C1

IUPAC: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[2-(2-nitrophenoxy)acetamido]benzoate

InChI: InChI=1S/C28H28N4O7/c1-2-38-28(35)21-12-13-23(30-14-16-31(17-15-30)27(34)20-8-4-3-5-9-20)22(18-21)29-26(33)19-39-25-11-7-6-10-24(25)32(36)37/h3-13,18H,2,14-17,19H2,1H3,(H,29,33)

Composition: C (63.15%), H (5.30%), N (10.52%), O (21.03%)

Molar Mass: 532.553

Atom Count: 67

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	532.195799258
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	AGJXAPXBKDAEGO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	145.4
Topological Polar Surface Area	131.32
Polarizability	53.87
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H28N4O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00