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N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-[(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide

N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-[(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide

Formula: C19H16ClFN4OS3

SMILES: CC1=CC=C(CSC2=NN=C(SCC(=O)NN=CC3=C(F)C=CC=C3Cl)S2)C=C1

IUPAC: N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-[(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide

InChI: InChI=1S/C19H16ClFN4OS3/c1-12-5-7-13(8-6-12)10-27-18-24-25-19(29-18)28-11-17(26)23-22-9-14-15(20)3-2-4-16(14)21/h2-9H,10-11H2,1H3,(H,23,26)/b22-9+

Composition: C (48.87%), H (3.45%), Cl (7.59%), F (4.07%), N (12.00%), O (3.43%), S (20.60%)

Molar Mass: 466.99

Atom Count: 45

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 466.0158805
Formal Charge 0
FSP3 0.16
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey WGRZJBMHXMPCRL-LSFURLLWSA-N
Lipinski's Rule of Five
Molar Refractivity 121.73
Topological Polar Surface Area 67.24
Polarizability 45.27
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H16ClFN4OS3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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