N-benzyl-2-[rel-(3aR,6aS)-3-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-ethylacetamide
N-benzyl-2-[rel-(3aR,6aS)-3-(3-chloro-4-methylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-ethylacetamide
Compound characteristics
| Compound ID: | G012-0609 |
| Compound Name: | N-benzyl-2-[rel-(3aR,6aS)-3-(3-chloro-4-methylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N-ethylacetamide |
| Molecular Weight: | 475.99 |
| Molecular Formula: | C23 H26 Cl N3 O4 S |
| Smiles: | CCN(Cc1ccccc1)C(CN1C(N(c2ccc(C)c(c2)[Cl])[C@H]2CS(C[C@@H]12)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8107 |
| logD: | 2.8107 |
| logSw: | -3.3091 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.253 |
| InChI Key: | XNUDXPGFJRZSNC-SFTDATJTSA-N |