1-[rel-(3aR,6aR)-5-(5-chloro-2-methoxybenzoyl)-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-(5-chloro-2-methoxybenzoyl)-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
1-[rel-(3aR,6aR)-5-(5-chloro-2-methoxybenzoyl)-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S987-1044 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(5-chloro-2-methoxybenzoyl)-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 380.87 |
| Molecular Formula: | C19 H25 Cl N2 O4 |
| Smiles: | CC(C)C(N1C[C@@H]2CN(C[C@@]2(C1)CO)C(c1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8235 |
| logD: | 1.8235 |
| logSw: | -2.7339 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.746 |
| InChI Key: | JJSLDPRFUYYHAZ-DJJJIMSYSA-N |