rel-(3aR,6aR)-2-{[(2,5-dimethylphenyl)methyl](phenyl)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](phenyl)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](phenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C998-0569 |
| Compound Name: | rel-(3aR,6aR)-2-{[(2,5-dimethylphenyl)methyl](phenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 386.53 |
| Molecular Formula: | C20 H22 N2 O2 S2 |
| Smiles: | Cc1ccc(C)c(CN(C2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)c2ccccc2)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3858 |
| logD: | 4.3857 |
| logSw: | -4.3057 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.015 |
| InChI Key: | XMIIVGMUOWJMJG-UHFFFAOYSA-N |