1-[rel-(3aR,6aR)-3a-(hydroxymethyl)-5-(thiophene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-(hydroxymethyl)-5-(thiophene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
1-[rel-(3aR,6aR)-3a-(hydroxymethyl)-5-(thiophene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S987-0515 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-(hydroxymethyl)-5-(thiophene-2-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 322.42 |
| Molecular Formula: | C16 H22 N2 O3 S |
| Smiles: | CC(C)C(N1C[C@@H]2CN(C[C@@]2(C1)CO)C(c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3047 |
| logD: | 1.3047 |
| logSw: | -1.9862 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.134 |
| InChI Key: | CKRUYVDGLUSYLH-WBMJQRKESA-N |