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N-(2,4-dichlorophenyl)-3-[2-(morpholin-4-yl)-2-oxoacetohydrazido]but-2-enamide

N-(2,4-dichlorophenyl)-3-[2-(morpholin-4-yl)-2-oxoacetohydrazido]but-2-enamide

Formula: C16H18Cl2N4O4

SMILES: CC(NNC(=O)C(=O)N1CCOCC1)=CC(=O)NC1=CC=C(Cl)C=C1Cl

IUPAC: N-(2,4-dichlorophenyl)-3-[2-(morpholin-4-yl)-2-oxoacetohydrazido]but-2-enamide

InChI: InChI=1S/C16H18Cl2N4O4/c1-10(8-14(23)19-13-3-2-11(17)9-12(13)18)20-21-15(24)16(25)22-4-6-26-7-5-22/h2-3,8-9,20H,4-7H2,1H3,(H,19,23)(H,21,24)

Composition: C (47.90%), H (4.52%), Cl (17.67%), N (13.96%), O (15.95%)

Molar Mass: 401.24

Atom Count: 44

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 400.0705105
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey OIVMGJYQRFDYQR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.48
Topological Polar Surface Area 99.77
Polarizability 37.17
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H18Cl2N4O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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