(3-fluoropyridin-2-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(3-fluoropyridin-2-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(3-fluoropyridin-2-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S858-1894 |
| Compound Name: | (3-fluoropyridin-2-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 357.4 |
| Molecular Formula: | C15 H20 F N3 O4 S |
| Smiles: | CS(N1C[C@@H]2CCN(C[C@@]2(C1)CO)C(c1c(cccn1)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.3554 |
| logD: | -0.3554 |
| logSw: | -1.6802 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.19 |
| InChI Key: | CEWAYWLFYWWDQO-IAQYHMDHSA-N |