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

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

Formula: C27H26N4O6

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

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

InChI: InChI=1S/C27H26N4O6/c1-2-37-27(34)21-10-13-24(23(18-21)28-25(32)19-8-11-22(12-9-19)31(35)36)29-14-16-30(17-15-29)26(33)20-6-4-3-5-7-20/h3-13,18H,2,14-17H2,1H3,(H,28,32)

Composition: C (64.53%), H (5.22%), N (11.15%), O (19.10%)

Molar Mass: 502.527

Atom Count: 63

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	502.185234573
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	IWFYKWPAXACNSY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	140.11
Topological Polar Surface Area	122.09
Polarizability	51.3
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H26N4O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00