2-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]-2-oxoethyl pyrrolidine-1-carbodithioate

Chemical Structure Depiction of
2-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]-2-oxoethyl pyrrolidine-1-carbodithioate
Available: 47 mg
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mg
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Compound characteristics

Compound ID: 4027-0024
Compound Name: 2-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]-2-oxoethyl pyrrolidine-1-carbodithioate
Molecular Weight: 522.13
Molecular Formula: C22 H20 Cl N3 O2 S4
Smiles: C1CCN(C1)C(=S)SCC(Nc1ccc2c(c1)sc(n2)SCC(c1ccc(cc1)[Cl])=O)=O
Stereo: ACHIRAL
logP: 5.8662
logD: 5.8662
logSw: -6.1884
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 48.631
InChI Key: DOYSPOIBAGBRTC-UHFFFAOYSA-N
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