1-[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one
1-[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S987-0731 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C20 H22 N2 O3 S |
| Smiles: | C(C(N1C[C@H]2CN(C[C@]2(C1)CO)C(c1ccccc1)=O)=O)c1cccs1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2935 |
| logD: | 1.2935 |
| logSw: | -1.8601 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.335 |
| InChI Key: | CIIDJQDVMSGZGC-JXFKEZNVSA-N |