rel-(3aR,6aR)-2-(4-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

Chemical Structure Depiction of
rel-(3aR,6aR)-2-(4-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Available: 139 mg
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mg
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Compound characteristics

Compound ID: K248-0181
Compound Name: rel-(3aR,6aR)-2-(4-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Molecular Weight: 535.08
Molecular Formula: C24 H27 Cl N4 O4 S2
Smiles: C1CN(CCN1CCOc1ccc(cc1)[Cl])C(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 2.7092
logD: 2.7023
logSw: -3.7315
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 1
Polar surface area: 74.926
InChI Key: SJPVXORKBCIOKW-UHFFFAOYSA-N
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