1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2-methylpropan-1-one

1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2-methylpropan-1-one

Formula: C21H26N4O3

SMILES: CC(C)C(=O)N1CCN(CC1)C1=CC=C(C(NCC2=CC=CC=C2)=C1)[N+]([O-])=O

IUPAC: 1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2-methylpropan-1-one

InChI: InChI=1S/C21H26N4O3/c1-16(2)21(26)24-12-10-23(11-13-24)18-8-9-20(25(27)28)19(14-18)22-15-17-6-4-3-5-7-17/h3-9,14,16,22H,10-13,15H2,1-2H3

Composition: C (65.95%), H (6.85%), N (14.65%), O (12.55%)

Molar Mass: 382.464

Atom Count: 54

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	382.200490713
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	MGSZHYZJLVYDGZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.14
Topological Polar Surface Area	78.72
Polarizability	41.12
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H26N4O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00