rel-(3aR,6aR)-2-{4-[4-(5-chloro-2-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-[4-(5-chloro-2-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-[4-(5-chloro-2-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: | K248-0088 |
| Compound Name: | rel-(3aR,6aR)-2-{4-[4-(5-chloro-2-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: | 505.06 |
| Molecular Formula: | C23 H25 Cl N4 O3 S2 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4355 |
| logD: | 3.4354 |
| logSw: | -3.9691 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.949 |
| InChI Key: | IITQXXZVXDRKFP-UHFFFAOYSA-N |