1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine

1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine

Formula: C21H27N3O4

SMILES: CCOC1=CC(CN2CCN(CC3=CC=CC=C3[N+]([O-])=O)CC2)=CC=C1OC

IUPAC: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine

InChI: InChI=1S/C21H27N3O4/c1-3-28-21-14-17(8-9-20(21)27-2)15-22-10-12-23(13-11-22)16-18-6-4-5-7-19(18)24(25)26/h4-9,14H,3,10-13,15-16H2,1-2H3

Composition: C (65.44%), H (7.06%), N (10.90%), O (16.60%)

Molar Mass: 385.464

Atom Count: 55

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	385.200156361
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	YFPZKRKGWUFJET-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.26
Topological Polar Surface Area	68.08
Polarizability	42.02
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H27N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00