rel-(3aR,6aR)-2-{(3,5-dimethylphenyl)[(3-methylphenyl)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-{(3,5-dimethylphenyl)[(3-methylphenyl)methyl]amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-{(3,5-dimethylphenyl)[(3-methylphenyl)methyl]amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C998-0163 |
| Compound Name: | rel-(3aR,6aR)-2-{(3,5-dimethylphenyl)[(3-methylphenyl)methyl]amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 400.56 |
| Molecular Formula: | C21 H24 N2 O2 S2 |
| Smiles: | Cc1cccc(CN(C2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)c2cc(C)cc(C)c2)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.0937 |
| logD: | 5.0931 |
| logSw: | -4.9508 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.015 |
| InChI Key: | ZOXYTHPCSAFNNO-UHFFFAOYSA-N |