[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]{5-methyl-4-[(morpholin-4-yl)methyl]-1,2-oxazol-3-yl}methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]{5-methyl-4-[(morpholin-4-yl)methyl]-1,2-oxazol-3-yl}methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]{5-methyl-4-[(morpholin-4-yl)methyl]-1,2-oxazol-3-yl}methanone
Compound characteristics
| Compound ID: | S996-0288 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]{5-methyl-4-[(morpholin-4-yl)methyl]-1,2-oxazol-3-yl}methanone |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C19 H30 N4 O6 S |
| Smiles: | Cc1c(CN2CCOCC2)c(C(N2CC[C@@H]3CN(C[C@@]3(C2)CO)S(C)(=O)=O)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.9096 |
| logD: | -3.942 |
| logSw: | -0.9893 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.244 |
| InChI Key: | RDPHJFRMQQWFKE-DNVCBOLYSA-N |