[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-indazol-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-indazol-3-yl)methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-indazol-3-yl)methanone
Compound characteristics
| Compound ID: | S996-0240 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-indazol-3-yl)methanone |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C18 H24 N4 O4 S |
| Smiles: | Cn1c2ccccc2c(C(N2CC[C@@H]3CN(C[C@@]3(C2)CO)S(C)(=O)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0958 |
| logD: | 0.0958 |
| logSw: | -2.0057 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.908 |
| InChI Key: | HFKYMQVYCWHIIK-FZKQIMNGSA-N |