rel-(3aR,6aR)-2-{3-[4-(4-fluorophenyl)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-{3-[4-(4-fluorophenyl)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-{3-[4-(4-fluorophenyl)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: | C685-0201 |
| Compound Name: | rel-(3aR,6aR)-2-{3-[4-(4-fluorophenyl)piperazine-1-carbonyl]anilino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C22 H23 F N4 O3 S2 |
| Smiles: | C1CN(CCN1C(c1cccc(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5202 |
| logD: | 2.5202 |
| logSw: | -3.0808 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.25 |
| InChI Key: | MRKQHSIDFVGTBE-UHFFFAOYSA-N |