(3-fluoro-4-methoxyphenyl)[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Chemical Structure Depiction of
(3-fluoro-4-methoxyphenyl)[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
(3-fluoro-4-methoxyphenyl)[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Compound characteristics
| Compound ID: | CM2432-1277 |
| Compound Name: | (3-fluoro-4-methoxyphenyl)[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone |
| Molecular Weight: | 364.46 |
| Molecular Formula: | C20 H29 F N2 O3 |
| Smiles: | CC(C)CN1CC[C@@]2(CN(C[C@@H]2C1)C(c1ccc(c(c1)F)OC)=O)CO |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0955 |
| logD: | -0.6474 |
| logSw: | -2.6833 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.531 |
| InChI Key: | YRWQYLFEMGMRKT-OXQOHEQNSA-N |