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

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

Formula: C27H28N4O5

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

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

InChI: InChI=1S/C27H28N4O5/c1-19-16-21(8-10-24(19)31(34)35)26(32)28-23-17-22(27(33)36-2)9-11-25(23)30-14-12-29(13-15-30)18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3,(H,28,32)

Composition: C (66.38%), H (5.78%), N (11.47%), O (16.37%)

Molar Mass: 488.544

Atom Count: 64

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	488.205970018
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	HHZJIZDXLLRWIG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	140.07
Topological Polar Surface Area	105.02
Polarizability	51.72
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H28N4O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00