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

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

Formula: C27H26N4O7

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

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

InChI: InChI=1S/C27H26N4O7/c1-37-27(34)20-7-12-24(29-13-15-30(16-14-29)26(33)19-5-3-2-4-6-19)23(17-20)28-25(32)18-38-22-10-8-21(9-11-22)31(35)36/h2-12,17H,13-16,18H2,1H3,(H,28,32)

Composition: C (62.54%), H (5.05%), N (10.81%), O (21.60%)

Molar Mass: 518.526

Atom Count: 64

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	518.180149193
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	YUJCIAPVVVWNAL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	140.65
Topological Polar Surface Area	131.32
Polarizability	52.04
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H26N4O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00