rel-(3aR,6aR)-2-{[(2,5-dimethylphenyl)methyl](3-methoxyphenyl)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](3-methoxyphenyl)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](3-methoxyphenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C998-0396 |
| Compound Name: | rel-(3aR,6aR)-2-{[(2,5-dimethylphenyl)methyl](3-methoxyphenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 416.56 |
| Molecular Formula: | C21 H24 N2 O3 S2 |
| Smiles: | Cc1ccc(C)c(CN(C2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)c2cccc(c2)OC)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6462 |
| logD: | 4.6461 |
| logSw: | -4.4542 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.559 |
| InChI Key: | KVXIGLPKYOBABF-UHFFFAOYSA-N |