1-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(benzenesulfonyl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(benzenesulfonyl)propan-1-one
1-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(benzenesulfonyl)propan-1-one
Compound characteristics
| Compound ID: | S997-0821 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(benzenesulfonyl)propan-1-one |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C20 H28 N2 O5 S |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)C(CCS(c1ccccc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.158 |
| logD: | 0.158 |
| logSw: | -1.9744 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.102 |
| InChI Key: | UDAITFNYHSCAMO-FXAWDEMLSA-N |