[rel-(3aR,7aS)-3a-(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)-3a-(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)-3a-(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: | S996-0281 |
| Compound Name: | [rel-(3aR,7aS)-3a-(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@@H]3CN(C[C@@]3(C2)CO)S(C)(=O)=O)=O)c(C)n1CCCOC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2204 |
| logD: | 0.2204 |
| logSw: | -1.7201 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.885 |
| InChI Key: | LICGSQGYRVPUTR-YLJYHZDGSA-N |