1-[rel-(3aR,6aR)-3a-(pyrrolidine-1-carbonyl)-5-(quinoline-8-sulfonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-(pyrrolidine-1-carbonyl)-5-(quinoline-8-sulfonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-3a-(pyrrolidine-1-carbonyl)-5-(quinoline-8-sulfonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S985-0360 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-(pyrrolidine-1-carbonyl)-5-(quinoline-8-sulfonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Smiles: | CC(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)S(c1cccc2cccnc12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9406 |
| logD: | 0.9406 |
| logSw: | -2.104 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.079 |
| InChI Key: | CNQFPZXVBAQCCK-GCJKJVERSA-N |