[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)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)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
Compound characteristics
| Compound ID: | S997-1288 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C21 H35 N3 O5 S |
| Smiles: | Cc1cc(C(N2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)=O)c(C)n1CCCOC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.697 |
| logD: | 0.697 |
| logSw: | -1.861 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.194 |
| InChI Key: | KLQSHRMHERMRLW-WIYYLYMNSA-N |