rel-(3aR,6aR)-2-{5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-chloroanilino}-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-{5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-chloroanilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-{5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-chloroanilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | K248-0137 |
| Compound Name: | rel-(3aR,6aR)-2-{5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-chloroanilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 533.07 |
| Molecular Formula: | C24 H25 Cl N4 O4 S2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(c1ccc(c(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)[Cl])=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.5034 |
| logD: | 2.5033 |
| logSw: | -3.5117 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.379 |
| InChI Key: | NZJDUQVWMXODFI-UHFFFAOYSA-N |