N-(4-bromophenyl)-6-(2-{[4-(dimethylamino)-3-nitrophenyl]methyl}diazen-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

N-(4-bromophenyl)-6-(2-{[4-(dimethylamino)-3-nitrophenyl]methyl}diazen-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

Formula: C19H16BrN9O3

SMILES: CN(C)C1=CC=C(CN=NC2=NC3=NON=C3N=C2NC2=CC=C(Br)C=C2)C=C1[N+]([O-])=O

IUPAC: N-(4-bromophenyl)-6-(2-{[4-(dimethylamino)-3-nitrophenyl]methyl}diazen-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

InChI: InChI=1S/C19H16BrN9O3/c1-28(2)14-8-3-11(9-15(14)29(30)31)10-21-25-17-16(22-13-6-4-12(20)5-7-13)23-18-19(24-17)27-32-26-18/h3-9H,10H2,1-2H3,(H,22,23,26)

Composition: C (45.80%), H (3.24%), Br (16.04%), N (25.30%), O (9.63%)

Molar Mass: 498.301

Atom Count: 48

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	497.055948
Formal Charge	0
FSP3	0.16
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
InChIKey	PHXCGNQQEKWEJV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	125.59
Topological Polar Surface Area	147.83
Polarizability	43.42
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H16BrN9O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00