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N'-[(1E)-1-(5-chloro-2-hydroxyphenyl)ethylidene]-3-(4-methylpiperazin-1-ylsulfonyl)benzohydrazide

N'-[(1E)-1-(5-chloro-2-hydroxyphenyl)ethylidene]-3-(4-methylpiperazin-1-ylsulfonyl)benzohydrazide

CAS: 1423715-37-0

Formula: C20H23ClN4O4S

SMILES: CN1CCN(CC1)S(=O)(=O)C1=CC(=CC=C1)C(=O)NN=C(/C)C1=CC(Cl)=CC=C1O

IUPAC: N'-[(1E)-1-(5-chloro-2-hydroxyphenyl)ethylidene]-3-[(4-methylpiperazin-1-yl)sulfonyl]benzohydrazide

InChI: InChI=1S/C20H23ClN4O4S/c1-14(18-13-16(21)6-7-19(18)26)22-23-20(27)15-4-3-5-17(12-15)30(28,29)25-10-8-24(2)9-11-25/h3-7,12-13,26H,8-11H2,1-2H3,(H,23,27)/b22-14+

Composition: C (53.27%), H (5.14%), Cl (7.86%), N (12.42%), O (14.19%), S (7.11%)

Molar Mass: 450.94

Atom Count: 53

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 450.1128541
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey MVSQDUZRRVBYLA-HYARGMPZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 116.84
Topological Polar Surface Area 102.31
Polarizability 44.96
Ring Count 3
Rotatable Bond Count 4

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98% <4 Days 1423715-37-0 $52.74-$467.81$52.74$77.20$158.23$282.06$467.81
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