rel-(3aR,6aR)-2-{[(2,5-dimethylphenyl)methyl](4-fluorophenyl)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-{[(2,5-dimethylphenyl)methyl](4-fluorophenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-{[(2,5-dimethylphenyl)methyl](4-fluorophenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C998-0053 |
| Compound Name: | rel-(3aR,6aR)-2-{[(2,5-dimethylphenyl)methyl](4-fluorophenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 404.52 |
| Molecular Formula: | C20 H21 F N2 O2 S2 |
| Smiles: | Cc1ccc(C)c(CN(C2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)c2ccc(cc2)F)c1 |
| Stereo: | RELATIVE |
| logP: | 4.5364 |
| logD: | 4.5363 |
| logSw: | -4.2546 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.015 |
| InChI Key: | KABCTSBCIBVSBH-UHFFFAOYSA-N |