rel-(3aR,6aR)-2-{(4-ethoxyphenyl)[(2-fluorophenyl)methyl]amino}-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-ethoxyphenyl)[(2-fluorophenyl)methyl]amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-{(4-ethoxyphenyl)[(2-fluorophenyl)methyl]amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C998-0454 |
| Compound Name: | rel-(3aR,6aR)-2-{(4-ethoxyphenyl)[(2-fluorophenyl)methyl]amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 420.52 |
| Molecular Formula: | C20 H21 F N2 O3 S2 |
| Smiles: | CCOc1ccc(cc1)N(Cc1ccccc1F)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9707 |
| logD: | 3.9707 |
| logSw: | -3.9002 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.139 |
| InChI Key: | HOZMANQOQXCEQA-UHFFFAOYSA-N |