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N-({N'-[(3Z)-5-bromo-2-oxo-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-({N'-[(3Z)-5-bromo-2-oxo-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Formula: C19H15BrN4O5

SMILES: BrC1=CC2=C(NC(=O)C2=N/NC(=O)CNC(=O)C2=CC=C3OCCOC3=C2)C=C1

IUPAC: N-({N'-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

InChI: InChI=1S/C19H15BrN4O5/c20-11-2-3-13-12(8-11)17(19(27)22-13)24-23-16(25)9-21-18(26)10-1-4-14-15(7-10)29-6-5-28-14/h1-4,7-8H,5-6,9H2,(H,21,26)(H,23,25)(H,22,24,27)

Composition: C (49.69%), H (3.29%), Br (17.40%), N (12.20%), O (17.42%)

Molar Mass: 459.256

Atom Count: 44

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 458.022583
Formal Charge 0
FSP3 0.16
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey SEKRTPQIUQJCRQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 107.45
Topological Polar Surface Area 118.12
Polarizability 39.83
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H15BrN4O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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