1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(thiophene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(thiophene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(thiophene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1337 |
| Compound Name: | 1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(thiophene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 344.45 |
| Molecular Formula: | C14 H20 N2 O4 S2 |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)S(c1cccs1)(=O)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2778 |
| logD: | 0.2778 |
| logSw: | -1.9182 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.365 |
| InChI Key: | UWICGDPVLUCBHX-TZMCWYRMSA-N |