rel-(3aR,6aR)-2-[4-(4-cyclohexylpiperazine-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-cyclohexylpiperazine-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-cyclohexylpiperazine-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: | K248-0066 |
| Compound Name: | rel-(3aR,6aR)-2-[4-(4-cyclohexylpiperazine-1-carbonyl)anilino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 462.63 |
| Molecular Formula: | C22 H30 N4 O3 S2 |
| Smiles: | C1CCC(CC1)N1CCN(CC1)C(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1747 |
| logD: | 2.0123 |
| logSw: | -2.7164 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.083 |
| InChI Key: | YMIGWVNCQSKKHU-UHFFFAOYSA-N |