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N-(3-chloro-2-methylphenyl)-4-[2-(4-methylphenoxy)acetohydrazido]-4-oxobutanamide

N-(3-chloro-2-methylphenyl)-4-[2-(4-methylphenoxy)acetohydrazido]-4-oxobutanamide

Formula: C20H22ClN3O4

SMILES: CC1=CC=C(OCC(=O)NNC(=O)CCC(=O)NC2=CC=CC(Cl)=C2C)C=C1

IUPAC: N-(3-chloro-2-methylphenyl)-4-[2-(4-methylphenoxy)acetohydrazido]-4-oxobutanamide

InChI: InChI=1S/C20H22ClN3O4/c1-13-6-8-15(9-7-13)28-12-20(27)24-23-19(26)11-10-18(25)22-17-5-3-4-16(21)14(17)2/h3-9H,10-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)

Composition: C (59.48%), H (5.49%), Cl (8.78%), N (10.40%), O (15.85%)

Molar Mass: 403.86

Atom Count: 50

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 403.1298839
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey FSKPJQINMZRUFY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 107.35
Topological Polar Surface Area 96.53
Polarizability 40.71
Ring Count 2
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H22ClN3O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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