(2E)-2-[(2-bromophenyl)formamido]-N-(furan-2-ylmethyl)-3-(3-nitrophenyl)prop-2-enamide

(2E)-2-[(2-bromophenyl)formamido]-N-(furan-2-ylmethyl)-3-(3-nitrophenyl)prop-2-enamide

Formula: C21H16BrN3O5

SMILES: [O-][N+](=O)C1=CC(C=C(NC(=O)C2=CC=CC=C2Br)C(=O)NCC2=CC=CO2)=CC=C1

IUPAC: (2E)-2-[(2-bromophenyl)formamido]-N-[(furan-2-yl)methyl]-3-(3-nitrophenyl)prop-2-enamide

InChI: InChI=1S/C21H16BrN3O5/c22-18-9-2-1-8-17(18)20(26)24-19(21(27)23-13-16-7-4-10-30-16)12-14-5-3-6-15(11-14)25(28)29/h1-12H,13H2,(H,23,27)(H,24,26)/b19-12+

Composition: C (53.63%), H (3.43%), Br (16.99%), N (8.94%), O (17.01%)

Molar Mass: 470.279

Atom Count: 46

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	469.027334
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KZXMNOVQSPQQQG-XDHOZWIPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.46
Topological Polar Surface Area	114.48
Polarizability	42.3
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H16BrN3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00