methyl 3-{[rel-(3aR,6aS)-3-(3,5-dimethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-{[rel-(3aR,6aS)-3-(3,5-dimethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}-4-methoxybenzoate
methyl 3-{[rel-(3aR,6aS)-3-(3,5-dimethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}-4-methoxybenzoate
Compound characteristics
| Compound ID: | C200-4370 |
| Compound Name: | methyl 3-{[rel-(3aR,6aS)-3-(3,5-dimethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}-4-methoxybenzoate |
| Molecular Weight: | 458.53 |
| Molecular Formula: | C23 H26 N2 O6 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(N(Cc2cc(ccc2OC)C(=O)OC)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2955 |
| logD: | 3.2955 |
| logSw: | -3.4636 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.377 |
| InChI Key: | KWMVOWRMSSDKHB-UHFFFAOYSA-N |