[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][4-(propan-2-yl)phenyl]methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][4-(propan-2-yl)phenyl]methanone
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][4-(propan-2-yl)phenyl]methanone
Compound characteristics
| Compound ID: | S997-1202 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][4-(propan-2-yl)phenyl]methanone |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C20 H30 N2 O4 S |
| Smiles: | CC(C)c1ccc(cc1)C(N1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.17 |
| logD: | 2.17 |
| logSw: | -2.5372 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.68 |
| InChI Key: | JYEASFHYECFFRM-UYAOXDASSA-N |