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N-({N'-[(E)-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}methyl)-N-(2,4-dimethylphenyl)methanesulfonamide

N-({N'-[(E)-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}methyl)-N-(2,4-dimethylphenyl)methanesulfonamide

Formula: C22H26BrN3O5S

SMILES: COC1=CC(C=NNC(=O)CN(C2=CC=C(C)C=C2C)S(C)(=O)=O)=CC(Br)=C1OCC=C

IUPAC: N-({N'-[(E)-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}methyl)-N-(2,4-dimethylphenyl)methanesulfonamide

InChI: InChI=1S/C22H26BrN3O5S/c1-6-9-31-22-18(23)11-17(12-20(22)30-4)13-24-25-21(27)14-26(32(5,28)29)19-8-7-15(2)10-16(19)3/h6-8,10-13H,1,9,14H2,2-5H3,(H,25,27)/b24-13+

Composition: C (50.39%), H (5.00%), Br (15.24%), N (8.01%), O (15.25%), S (6.11%)

Molar Mass: 524.43

Atom Count: 58

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 523.077655
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey WGPKWYFTQIUWGT-ZMOGYAJESA-N
Lipinski's Rule of Five
Molar Refractivity 128.44
Topological Polar Surface Area 97.3
Polarizability 49.37
Ring Count 2
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H26BrN3O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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