rel-(3aR,6aR)-2-{[(1H-benzimidazol-2-yl)methyl](4-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-{[(1H-benzimidazol-2-yl)methyl](4-methoxyphenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-{[(1H-benzimidazol-2-yl)methyl](4-methoxyphenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C998-0349 |
| Compound Name: | rel-(3aR,6aR)-2-{[(1H-benzimidazol-2-yl)methyl](4-methoxyphenyl)amino}-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C20 H20 N4 O3 S2 |
| Smiles: | COc1ccc(cc1)N(Cc1nc2ccccc2[nH]1)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0455 |
| logD: | 3.0441 |
| logSw: | -3.4539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.84 |
| InChI Key: | VTUZHWKMULDNOM-UHFFFAOYSA-N |