rel-(3aR,7aR)-2-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0500 |
| Compound Name: | rel-(3aR,7aR)-2-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 304.39 |
| Molecular Formula: | C16 H24 N4 O2 |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(C1)C(CCc1c(C)nn(C)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.737 |
| logD: | -0.7372 |
| logSw: | -0.7575 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.307 |
| InChI Key: | ILMSHPYUYBTLRK-OLZOCXBDSA-N |