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N-(2H-1,3-benzodioxol-5-yl)-3-(2-{[1,1'-biphenyl]-4-yl}acetohydrazido)but-2-enamide

N-(2H-1,3-benzodioxol-5-yl)-3-(2-{[1,1'-biphenyl]-4-yl}acetohydrazido)but-2-enamide

Formula: C25H23N3O4

SMILES: CC(NNC(=O)CC1=CC=C(C=C1)C1=CC=CC=C1)=CC(=O)NC1=CC=C2OCOC2=C1

IUPAC: N-(2H-1,3-benzodioxol-5-yl)-3-(2-{[1,1'-biphenyl]-4-yl}acetohydrazido)but-2-enamide

InChI: InChI=1S/C25H23N3O4/c1-17(13-24(29)26-21-11-12-22-23(15-21)32-16-31-22)27-28-25(30)14-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-13,15,27H,14,16H2,1H3,(H,26,29)(H,28,30)

Composition: C (69.92%), H (5.40%), N (9.78%), O (14.90%)

Molar Mass: 429.476

Atom Count: 55

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 429.168856233
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey RINRMQQXUDPLGT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 134.01
Topological Polar Surface Area 88.69
Polarizability 47.68
Ring Count 4
Rotatable Bond Count 7

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H23N3O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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