1-[rel-(3aR,7aS)-3a-(methoxymethyl)-2-(thiophene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-3a-(methoxymethyl)-2-(thiophene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-3a-(methoxymethyl)-2-(thiophene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S996-0845 |
| Compound Name: | 1-[rel-(3aR,7aS)-3a-(methoxymethyl)-2-(thiophene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C15 H22 N2 O4 S2 |
| Smiles: | CC(N1CC[C@@H]2CN(C[C@@]2(C1)COC)S(c1cccs1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9139 |
| logD: | 0.9139 |
| logSw: | -2.1564 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.674 |
| InChI Key: | LGRVRQWTIUJIPR-UKRRQHHQSA-N |