methyl 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-nitrobenzoate

methyl 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-nitrobenzoate

Formula: C20H21N3O6

SMILES: COC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)C(=O)N1CCN(CC1)C1=CC=CC=C1OC

IUPAC: methyl 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-nitrobenzoate

InChI: InChI=1S/C20H21N3O6/c1-28-18-6-4-3-5-17(18)21-7-9-22(10-8-21)19(24)14-11-15(20(25)29-2)13-16(12-14)23(26)27/h3-6,11-13H,7-10H2,1-2H3

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	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	MVKXRBMTBWLGKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.29
Topological Polar Surface Area	102.22
Polarizability	39.42
Ring Count	3
Rotatable Bond Count	6

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