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N-{4-[N'-(3-iodo-4-methoxybenzoyl)hydrazinecarbonyl]phenyl}cyclohexanecarboxamide

N-{4-[N'-(3-iodo-4-methoxybenzoyl)hydrazinecarbonyl]phenyl}cyclohexanecarboxamide

Formula: C22H24IN3O4

SMILES: COC1=CC=C(C=C1I)C(=O)NNC(=O)C1=CC=C(NC(=O)C2CCCCC2)C=C1

IUPAC: N-{4-[N'-(3-iodo-4-methoxybenzoyl)hydrazinecarbonyl]phenyl}cyclohexanecarboxamide

InChI: InChI=1S/C22H24IN3O4/c1-30-19-12-9-16(13-18(19)23)22(29)26-25-21(28)15-7-10-17(11-8-15)24-20(27)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3,(H,24,27)(H,25,28)(H,26,29)

Composition: C (50.68%), H (4.64%), I (24.34%), N (8.06%), O (12.27%)

Molar Mass: 521.355

Atom Count: 54

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 521.08115
Formal Charge 0
FSP3 0.32
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey KZZIKXWTEGLDAS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 124.56
Topological Polar Surface Area 96.53
Polarizability 46.64
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H24IN3O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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