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

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

Formula: C26H26N4O5

SMILES: COC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)C2=CC=CC=C2[N+]([O-])=O)=C1

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

InChI: InChI=1S/C26H26N4O5/c1-35-26(32)20-11-12-24(29-15-13-28(14-16-29)18-19-7-3-2-4-8-19)22(17-20)27-25(31)21-9-5-6-10-23(21)30(33)34/h2-12,17H,13-16,18H2,1H3,(H,27,31)

Composition: C (65.81%), H (5.52%), N (11.81%), O (16.86%)

Molar Mass: 474.517

Atom Count: 61

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	474.190319953
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	PMSKKIJPMHULCI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	135.03
Topological Polar Surface Area	105.02
Polarizability	49.96
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H26N4O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00