[3-(4-fluorophenyl)-1H-pyrazol-4-yl][rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
[3-(4-fluorophenyl)-1H-pyrazol-4-yl][rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
[3-(4-fluorophenyl)-1H-pyrazol-4-yl][rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S858-6016 |
| Compound Name: | [3-(4-fluorophenyl)-1H-pyrazol-4-yl][rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C19 H23 F N4 O4 S |
| Smiles: | CS(N1C[C@@H]2CCN(C[C@@]2(C1)CO)C(c1c[nH]nc1c1ccc(cc1)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6299 |
| logD: | 0.6298 |
| logSw: | -2.4004 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.562 |
| InChI Key: | INJMGOZBDWYEEH-AUUYWEPGSA-N |