1-[rel-(3aR,6aR)-5-[(4-ethoxy-3-methoxyphenyl)methyl]-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-[(4-ethoxy-3-methoxyphenyl)methyl]-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
1-[rel-(3aR,6aR)-5-[(4-ethoxy-3-methoxyphenyl)methyl]-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S987-0513 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-[(4-ethoxy-3-methoxyphenyl)methyl]-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 376.5 |
| Molecular Formula: | C21 H32 N2 O4 |
| Smiles: | CCOc1ccc(CN2C[C@H]3CN(C[C@]3(C2)CO)C(C(C)C)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6401 |
| logD: | -4.9166 |
| logSw: | -2.1369 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.041 |
| InChI Key: | SNFJPJUWYMVROB-UWJYYQICSA-N |