1-[rel-(3aR,7aR)-5-(3-chloro-4-fluorobenzoyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(3-chloro-4-fluorobenzoyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(3-chloro-4-fluorobenzoyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1657 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(3-chloro-4-fluorobenzoyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 368.83 |
| Molecular Formula: | C18 H22 Cl F N2 O3 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)C(c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4261 |
| logD: | 1.4261 |
| logSw: | -2.7806 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.593 |
| InChI Key: | KGOYGNBWJICXEL-KBXCAEBGSA-N |