1-{rel-(3aR,7aS)-7a-(ethoxymethyl)-2-[4-(propan-2-yl)benzene-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-(propan-2-yl)benzene-1-sulfonyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
1-{rel-(3aR,7aS)-7a-(ethoxymethyl)-2-[4-(propan-2-yl)benzene-1-sulfonyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Compound characteristics
| Compound ID: | S997-1611 |
| Compound Name: | 1-{rel-(3aR,7aS)-7a-(ethoxymethyl)-2-[4-(propan-2-yl)benzene-1-sulfonyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C21 H32 N2 O4 S |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)S(c1ccc(cc1)C(C)C)(=O)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9111 |
| logD: | 2.9111 |
| logSw: | -3.164 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.291 |
| InChI Key: | LYLJYPTUEFONGA-TZIWHRDSSA-N |