1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one
1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S858-1925 |
| Compound Name: | 1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C16 H26 N4 O4 S |
| Smiles: | Cc1cnn(CCC(N2CC[C@H]3CN(C[C@]3(C2)CO)S(C)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6795 |
| logD: | -0.6795 |
| logSw: | -1.1096 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.6 |
| InChI Key: | FKOKANDGMLDZDL-GDBMZVCRSA-N |