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N-[(4-chlorophenyl)methyl]-N-[4-(N'-cycloheptylidenehydrazinecarbonyl)phenyl]methanesulfonamide

N-[(4-chlorophenyl)methyl]-N-[4-(N'-cycloheptylidenehydrazinecarbonyl)phenyl]methanesulfonamide

Formula: C22H26ClN3O3S

SMILES: CS(=O)(=O)N(CC1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C(=O)NN=C1CCCCCC1

IUPAC: N-[(4-chlorophenyl)methyl]-N-[4-(N'-cycloheptylidenehydrazinecarbonyl)phenyl]methanesulfonamide

InChI: InChI=1S/C22H26ClN3O3S/c1-30(28,29)26(16-17-8-12-19(23)13-9-17)21-14-10-18(11-15-21)22(27)25-24-20-6-4-2-3-5-7-20/h8-15H,2-7,16H2,1H3,(H,25,27)

Composition: C (58.99%), H (5.85%), Cl (7.91%), N (9.38%), O (10.71%), S (7.16%)

Molar Mass: 447.98

Atom Count: 56

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 447.1383406
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey HCAJAIMNZGQYKR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 119.44
Topological Polar Surface Area 78.84
Polarizability 46.51
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H26ClN3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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