rel-(3aR,6aR)-2-[5-(4-benzylpiperidine-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-benzylpiperidine-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-benzylpiperidine-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: | K248-0133 |
| Compound Name: | rel-(3aR,6aR)-2-[5-(4-benzylpiperidine-1-carbonyl)-2-chloroanilino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 504.07 |
| Molecular Formula: | C24 H26 Cl N3 O3 S2 |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(c1ccc(c(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1753 |
| logD: | 4.1753 |
| logSw: | -4.4781 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.021 |
| InChI Key: | STMOMJNHQBAUOX-FCHUYYIVSA-N |