methyl 4-(4-acetylpiperazin-1-yl)-3-(2-methyl-3-nitrobenzamido)benzoate

methyl 4-(4-acetylpiperazin-1-yl)-3-(2-methyl-3-nitrobenzamido)benzoate

Formula: C22H24N4O6

SMILES: COC(=O)C1=CC=C(N2CCN(CC2)C(C)=O)C(NC(=O)C2=CC=CC(=C2C)[N+]([O-])=O)=C1

IUPAC: methyl 4-(4-acetylpiperazin-1-yl)-3-(2-methyl-3-nitrobenzamido)benzoate

InChI: InChI=1S/C22H24N4O6/c1-14-17(5-4-6-19(14)26(30)31)21(28)23-18-13-16(22(29)32-3)7-8-20(18)25-11-9-24(10-12-25)15(2)27/h4-8,13H,9-12H2,1-3H3,(H,23,28)

Composition: C (59.99%), H (5.49%), N (12.72%), O (21.79%)

Molar Mass: 440.456

Atom Count: 56

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	440.169584509
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	ZUHTXGWLAICDKS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.73
Topological Polar Surface Area	122.09
Polarizability	43.74
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H24N4O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00