N-benzyl-2-[rel-(3aR,6aS)-3-(3,5-dimethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-ethylacetamide
Chemical Structure Depiction of
N-benzyl-2-[rel-(3aR,6aS)-3-(3,5-dimethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-ethylacetamide
N-benzyl-2-[rel-(3aR,6aS)-3-(3,5-dimethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-ethylacetamide
Compound characteristics
| Compound ID: | G012-0336 |
| Compound Name: | N-benzyl-2-[rel-(3aR,6aS)-3-(3,5-dimethylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-ethylacetamide |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C24 H29 N3 O4 S |
| Smiles: | CCN(Cc1ccccc1)C(CN1C(N(c2cc(C)cc(C)c2)[C@H]2CS(C[C@@H]12)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6154 |
| logD: | 2.6154 |
| logSw: | -2.93 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.253 |
| InChI Key: | IUFGBXNZUSHLTE-UHFFFAOYSA-N |