[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
Compound characteristics
| Compound ID: | S997-0688 |
| Compound Name: | [rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone |
| Molecular Weight: | 427.56 |
| Molecular Formula: | C20 H33 N3 O5 S |
| Smiles: | Cc1cc(C(N2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)CO)=O)c(C)n1CCCOC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1564 |
| logD: | 0.1564 |
| logSw: | -1.685 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.885 |
| InChI Key: | LUAHVIALZMEELQ-YLJYHZDGSA-N |