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

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

Formula: C25H20BrN3O6

SMILES: COC1=CC(Br)=CC(C=NNC(=O)C(NC(=O)C2=CC=CC=C2)=C/C2=CC=C3OCOC3=C2)=C1O

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

InChI: InChI=1S/C25H20BrN3O6/c1-33-22-12-18(26)11-17(23(22)30)13-27-29-25(32)19(28-24(31)16-5-3-2-4-6-16)9-15-7-8-20-21(10-15)35-14-34-20/h2-13,30H,14H2,1H3,(H,28,31)(H,29,32)/b19-9+,27-13+

Composition: C (55.78%), H (3.74%), Br (14.84%), N (7.81%), O (17.83%)

Molar Mass: 538.354

Atom Count: 55

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 537.053548
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
InChIKey HCOBZWFIXYUAGQ-IKRKAOFXSA-N
Lipinski's Rule of Five
Molar Refractivity 133.55
Topological Polar Surface Area 118.48
Polarizability 49.84
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H20BrN3O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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