1-[rel-(3aR,7aS)-2-(2-ethylbenzene-1-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(2-ethylbenzene-1-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-(2-ethylbenzene-1-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1371 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(2-ethylbenzene-1-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C18 H26 N2 O4 S |
| Smiles: | CCc1ccccc1S(N1C[C@H]2CN(CC[C@]2(C1)CO)C(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3171 |
| logD: | 1.3171 |
| logSw: | -2.0529 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.347 |
| InChI Key: | IQADQKCLGZHGEE-SJLPKXTDSA-N |