rel-(3aR,6aR)-2-{4-[3-methyl-4-(4-methylphenyl)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-[3-methyl-4-(4-methylphenyl)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-{4-[3-methyl-4-(4-methylphenyl)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: | K248-0175 |
| Compound Name: | rel-(3aR,6aR)-2-{4-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 484.64 |
| Molecular Formula: | C24 H28 N4 O3 S2 |
| Smiles: | CC1CN(CCN1c1ccc(C)cc1)C(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8908 |
| logD: | 2.8907 |
| logSw: | -3.4553 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.468 |
| InChI Key: | JSSMJNINZJSXQC-UHFFFAOYSA-N |