2-(3-methoxypropyl)-N-{4'-nitro-[1,1'-biphenyl]-4-yl}-1,3-dioxoisoindole-5-carboxamide

2-(3-methoxypropyl)-N-{4'-nitro-[1,1'-biphenyl]-4-yl}-1,3-dioxoisoindole-5-carboxamide

Formula: C25H21N3O6

SMILES: COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC2=CC=C(C=C2)C2=CC=C(C=C2)[N+]([O-])=O)C1=O

IUPAC: 2-(3-methoxypropyl)-N-{4'-nitro-[1,1'-biphenyl]-4-yl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

InChI: InChI=1S/C25H21N3O6/c1-34-14-2-13-27-24(30)21-12-7-18(15-22(21)25(27)31)23(29)26-19-8-3-16(4-9-19)17-5-10-20(11-6-17)28(32)33/h3-12,15H,2,13-14H2,1H3,(H,26,29)

Composition: C (65.35%), H (4.61%), N (9.15%), O (20.89%)

Molar Mass: 459.458

Atom Count: 55

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	459.143035408
Formal Charge	0
FSP3	0.16
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	BIYBKAIEASZFSR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	127.11
Topological Polar Surface Area	118.85
Polarizability	47.61
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H21N3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00