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

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

Formula: C27H28N4O5

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

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

InChI: InChI=1S/C27H28N4O5/c1-2-36-27(33)21-12-13-25(30-16-14-29(15-17-30)19-20-8-4-3-5-9-20)23(18-21)28-26(32)22-10-6-7-11-24(22)31(34)35/h3-13,18H,2,14-17,19H2,1H3,(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	PTRYKPMUBLOAJN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	139.78
Topological Polar Surface Area	105.02
Polarizability	51.8
Ring Count	4
Rotatable Bond Count	9

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