rel-(3aR,6aR)-2-{2-chloro-5-[4-(2,5-dimethylphenyl)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-{2-chloro-5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Available: 95 mg
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mg
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Compound characteristics

Compound ID: K248-0139
Compound Name: rel-(3aR,6aR)-2-{2-chloro-5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Molecular Weight: 519.08
Molecular Formula: C24 H27 Cl N4 O3 S2
Smiles: Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc(c(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)[Cl])=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 3.9977
logD: 3.9977
logSw: -4.356
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 66.251
InChI Key: BWHVROAPNXFRRN-UHFFFAOYSA-N
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