1-[rel-(3aR,7aR)-2-acetyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-(1H-indol-3-yl)butan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-acetyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-(1H-indol-3-yl)butan-1-one
1-[rel-(3aR,7aR)-2-acetyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-(1H-indol-3-yl)butan-1-one
Compound characteristics
| Compound ID: | S996-0017 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-acetyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-4-(1H-indol-3-yl)butan-1-one |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C22 H29 N3 O3 |
| Smiles: | CC(N1C[C@H]2CCN(C[C@]2(C1)CO)C(CCCc1c[nH]c2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4738 |
| logD: | 1.4738 |
| logSw: | -2.0264 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.628 |
| InChI Key: | WSMFUKQNRZKIOE-XMSQKQJNSA-N |