2-[rel-(3aR,6aS)-3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N,N-dipropylacetamide
Chemical Structure Depiction of
2-[rel-(3aR,6aS)-3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N,N-dipropylacetamide
2-[rel-(3aR,6aS)-3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N,N-dipropylacetamide
Compound characteristics
| Compound ID: | C200-4086 |
| Compound Name: | 2-[rel-(3aR,6aS)-3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]-N,N-dipropylacetamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C21 H31 N3 O5 S |
| Smiles: | CCCN(CCC)C(CN1C(N(c2ccc(cc2)OCC)[C@H]2CS(C[C@@H]12)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7176 |
| logD: | 1.7175 |
| logSw: | -2.4327 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.88 |
| InChI Key: | AAUMYDDFKLOOAA-UHFFFAOYSA-N |