[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | S997-1298 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(c1cc(c2ccc(cc2)OC)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7887 |
| logD: | 1.7881 |
| logSw: | -2.6728 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.714 |
| InChI Key: | ZCNHNGQUXCBHJT-IIBYNOLFSA-N |