rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-0735 |
| Compound Name: | rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 359.51 |
| Molecular Formula: | C15 H25 N3 O3 S2 |
| Smiles: | Cc1c(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)scn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7524 |
| logD: | -0.2522 |
| logSw: | -1.5487 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.97 |
| InChI Key: | SIXAAYDIOPBHCI-UKRRQHHQSA-N |