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
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
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 |