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2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(3-nitroanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one

Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(3-nitroanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Available: 5 mg
Amount:
mg
Format:
$83.09
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Compound characteristics

Compound ID: Y500-7731
Compound Name: 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(3-nitroanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Molecular Weight: 536.03
Molecular Formula: C25 H18 Cl N5 O3 S2
Smiles: C/C(=C1/C(CSc2ccc(cc2)[Cl])=NN(C1=O)c1nc2ccccc2s1)Nc1cccc(c1)[N+]([O-])=O
Stereo: ACHIRAL
logP: 6.9689
logD: 6.5306
logSw: -6.2737
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 79.184
InChI Key: WPDACGUOKNZQBZ-UHFFFAOYSA-N
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