1-[rel-(3aR,6aR)-3a-(hydroxymethyl)-5-[(5-methylthiophen-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-(hydroxymethyl)-5-[(5-methylthiophen-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
1-[rel-(3aR,6aR)-3a-(hydroxymethyl)-5-[(5-methylthiophen-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S987-0517 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-(hydroxymethyl)-5-[(5-methylthiophen-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 322.47 |
| Molecular Formula: | C17 H26 N2 O2 S |
| Smiles: | CC(C)C(N1C[C@@H]2CN(Cc3ccc(C)s3)C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1123 |
| logD: | -4.0952 |
| logSw: | -2.4108 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.218 |
| InChI Key: | KWHYDWYAADNDCI-WMLDXEAASA-N |