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1-{N'-[(E)-(4-{[(3,5-dichlorophenyl)carbamoyl]methoxy}-3-ethoxyphenyl)methylidene]hydrazinecarbonyl}-N-(prop-2-en-1-yl)formamide

1-{N'-[(E)-(4-{[(3,5-dichlorophenyl)carbamoyl]methoxy}-3-ethoxyphenyl)methylidene]hydrazinecarbonyl}-N-(prop-2-en-1-yl)formamide

Formula: C22H22Cl2N4O5

SMILES: CCOC1=CC(C=NNC(=O)C(=O)NCC=C)=CC=C1OCC(=O)NC1=CC(Cl)=CC(Cl)=C1

IUPAC: 1-{N'-[(E)-(4-{[(3,5-dichlorophenyl)carbamoyl]methoxy}-3-ethoxyphenyl)methylidene]hydrazinecarbonyl}-N-(prop-2-en-1-yl)formamide

InChI: InChI=1S/C22H22Cl2N4O5/c1-3-7-25-21(30)22(31)28-26-12-14-5-6-18(19(8-14)32-4-2)33-13-20(29)27-17-10-15(23)9-16(24)11-17/h3,5-6,8-12H,1,4,7,13H2,2H3,(H,25,30)(H,27,29)(H,28,31)/b26-12+

Composition: C (53.56%), H (4.50%), Cl (14.37%), N (11.36%), O (16.21%)

Molar Mass: 493.34

Atom Count: 55

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 492.0967252
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey AZNIHAAWOKJSRA-RPPGKUMJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.89
Topological Polar Surface Area 118.12
Polarizability 47.65
Ring Count 2
Rotatable Bond Count 11

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H22Cl2N4O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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