[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methylthiophen-2-yl)methanone
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S997-0728 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 372.5 |
| Molecular Formula: | C16 H24 N2 O4 S2 |
| Smiles: | Cc1ccsc1C(N1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3341 |
| logD: | 1.3341 |
| logSw: | -2.1392 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.699 |
| InChI Key: | YYUGVQHCHDWICD-CZUORRHYSA-N |