N-[(1E)-2-(2H-1,3-benzodioxol-5-yl)-1-{N'-[(E)-[5-(3-bromophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

N-[(1E)-2-(2H-1,3-benzodioxol-5-yl)-1-{N'-[(E)-[5-(3-bromophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

Formula: C28H20BrN3O5

SMILES: BrC1=CC=CC(=C1)C1=CC=C(O1)C=NNC(=O)C(NC(=O)C1=CC=CC=C1)=C/C1=CC=C2OCOC2=C1

IUPAC: N-[(1E)-2-(2H-1,3-benzodioxol-5-yl)-1-{N'-[(E)-[5-(3-bromophenyl)furan-2-yl]methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

InChI: InChI=1S/C28H20BrN3O5/c29-21-8-4-7-20(15-21)24-12-10-22(37-24)16-30-32-28(34)23(31-27(33)19-5-2-1-3-6-19)13-18-9-11-25-26(14-18)36-17-35-25/h1-16H,17H2,(H,31,33)(H,32,34)/b23-13+,30-16+

Composition: C (60.23%), H (3.61%), Br (14.31%), N (7.53%), O (14.33%)

Molar Mass: 558.388

Atom Count: 57

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	557.058634
Formal Charge	0
FSP3	0.04
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	QIOQGPCFRQLCIA-VKSJCQJWSA-N
Lipinski's Rule of Five
Molar Refractivity	142.51
Topological Polar Surface Area	102.16
Polarizability	54.4
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H20BrN3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00