1-(2H-1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-3-nitrobenzoyl)piperazine

1-(2H-1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-3-nitrobenzoyl)piperazine

Formula: C20H21N3O6

SMILES: COC1=CC=C(C=C1[N+]([O-])=O)C(=O)N1CCN(CC2=CC=C3OCOC3=C2)CC1

IUPAC: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methoxy-3-nitrobenzoyl)piperazine

InChI: InChI=1S/C20H21N3O6/c1-27-17-5-3-15(11-16(17)23(25)26)20(24)22-8-6-21(7-9-22)12-14-2-4-18-19(10-14)29-13-28-18/h2-5,10-11H,6-9,12-13H2,1H3

Composition: C (60.14%), H (5.30%), N (10.52%), O (24.03%)

Molar Mass: 399.403

Atom Count: 50

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	399.143035408
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	LJVAGNJSHJCBLC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.14
Topological Polar Surface Area	94.38
Polarizability	39.68
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21N3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00