1-[rel-(3aR,6aR)-5-(4-propoxybenzene-1-sulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-(4-propoxybenzene-1-sulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-(4-propoxybenzene-1-sulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S984-1142 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(4-propoxybenzene-1-sulfonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C22 H31 N3 O5 S |
| Smiles: | CCCOc1ccc(cc1)S(N1C[C@@H]2CN(C[C@@]2(C1)C(N1CCCC1)=O)C(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1754 |
| logD: | 2.1754 |
| logSw: | -2.5175 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.963 |
| InChI Key: | AEDXETBDSHOEHS-GCJKJVERSA-N |