5-bromo-N-{4-[(1E)-1-{[(3-methyl-4-nitrophenyl)formamido]imino}ethyl]phenyl}furan-2-carboxamide

5-bromo-N-{4-[(1E)-1-{[(3-methyl-4-nitrophenyl)formamido]imino}ethyl]phenyl}furan-2-carboxamide

Formula: C21H17BrN4O5

SMILES: CC(=N/NC(=O)C1=CC=C(C(C)=C1)[N+]([O-])=O)C1=CC=C(NC(=O)C2=CC=C(Br)O2)C=C1

IUPAC: 5-bromo-N-{4-[(1E)-1-{[(3-methyl-4-nitrophenyl)formamido]imino}ethyl]phenyl}furan-2-carboxamide

InChI: InChI=1S/C21H17BrN4O5/c1-12-11-15(5-8-17(12)26(29)30)20(27)25-24-13(2)14-3-6-16(7-4-14)23-21(28)18-9-10-19(22)31-18/h3-11H,1-2H3,(H,23,28)(H,25,27)/b24-13+

Composition: C (51.97%), H (3.53%), Br (16.47%), N (11.55%), O (16.48%)

Molar Mass: 485.294

Atom Count: 48

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	484.038233
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	YHPDODHIDNSOPX-ZMOGYAJESA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.75
Topological Polar Surface Area	126.84
Polarizability	43.27
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H17BrN4O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00