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

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

Formula: C26H25ClN4O5

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

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

InChI: InChI=1S/C26H25ClN4O5/c1-36-26(33)20-8-10-23(30-13-11-29(12-14-30)17-18-5-3-2-4-6-18)22(15-20)28-25(32)19-7-9-21(27)24(16-19)31(34)35/h2-10,15-16H,11-14,17H2,1H3,(H,28,32)

Composition: C (61.36%), H (4.95%), Cl (6.97%), N (11.01%), O (15.72%)

Molar Mass: 508.96

Atom Count: 61

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	508.1513476
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	ZHMBMSUDJUCCKC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	139.83
Topological Polar Surface Area	105.02
Polarizability	51.89
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H25ClN4O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00