{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S996-0284 |
| Compound Name: | {5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 437.51 |
| Molecular Formula: | C20 H27 N3 O6 S |
| Smiles: | Cc1c(Cc2ccc(C(N3CC[C@@H]4CN(C[C@@]4(C3)CO)S(C)(=O)=O)=O)o2)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.961 |
| logD: | 0.961 |
| logSw: | -2.0534 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.98 |
| InChI Key: | ZHQBRSYFHDSQBF-FOIQADDNSA-N |