rel-(3aR,6aR)-2-benzyl-5-(4-fluorobenzene-1-sulfonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydropyrrolo[3,4-c]pyrrole
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzyl-5-(4-fluorobenzene-1-sulfonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydropyrrolo[3,4-c]pyrrole
rel-(3aR,6aR)-2-benzyl-5-(4-fluorobenzene-1-sulfonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydropyrrolo[3,4-c]pyrrole
Compound characteristics
| Compound ID: | SB47-0543 |
| Compound Name: | rel-(3aR,6aR)-2-benzyl-5-(4-fluorobenzene-1-sulfonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydropyrrolo[3,4-c]pyrrole |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C22 H24 F N5 O2 S |
| Smiles: | Cc1nc([C@@]23CN(Cc4ccccc4)C[C@H]3CN(C2)S(c2ccc(cc2)F)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7875 |
| logD: | -0.3422 |
| logSw: | -3.231 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.274 |
| InChI Key: | XNOULJJYCTVDFS-GCJKJVERSA-N |