1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(4-propoxybenzene-1-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(4-propoxybenzene-1-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(4-propoxybenzene-1-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1630 |
| Compound Name: | 1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(4-propoxybenzene-1-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C21 H32 N2 O5 S |
| Smiles: | CCCOc1ccc(cc1)S(N1C[C@H]2CN(CC[C@]2(C1)COCC)C(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5322 |
| logD: | 2.5322 |
| logSw: | -2.5394 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.708 |
| InChI Key: | KPWWAHDXMKILDT-WIYYLYMNSA-N |