5-[rel-(3aR,7aS)-5-acetyl-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-sulfonyl]-1-methyl-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
5-[rel-(3aR,7aS)-5-acetyl-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-sulfonyl]-1-methyl-1,3-dihydro-2H-indol-2-one
5-[rel-(3aR,7aS)-5-acetyl-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-sulfonyl]-1-methyl-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | S997-1617 |
| Compound Name: | 5-[rel-(3aR,7aS)-5-acetyl-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-sulfonyl]-1-methyl-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)S(c1ccc2c(CC(N2C)=O)c1)(=O)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.789 |
| logD: | 0.789 |
| logSw: | -2.324 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.074 |
| InChI Key: | KCAADLYQNGNVOH-DYESRHJHSA-N |