methyl 3-{[rel-(3aR,6aS)-3-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}-4-methoxybenzoate
methyl 3-{[rel-(3aR,6aS)-3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}-4-methoxybenzoate
Compound characteristics
| Compound ID: | C200-4437 |
| Compound Name: | methyl 3-{[rel-(3aR,6aS)-3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}-4-methoxybenzoate |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C23 H26 N2 O7 S |
| Smiles: | CCOc1ccc(cc1)N1C(N(Cc2cc(ccc2OC)C(=O)OC)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5898 |
| logD: | 2.5898 |
| logSw: | -3.0446 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.501 |
| InChI Key: | JTZRXEZYMLMVCT-UHFFFAOYSA-N |