rel-(3aR,6aR)-2-(4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}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-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-(4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C685-0486 |
| Compound Name: | rel-(3aR,6aR)-2-(4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}anilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 498.67 |
| Molecular Formula: | C25 H30 N4 O3 S2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(Cc1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5557 |
| logD: | 3.5556 |
| logSw: | -3.7712 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.422 |
| InChI Key: | JIMHVCGEWWGOPZ-UHFFFAOYSA-N |