(2,4-dimethyl-1,3-thiazol-5-yl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(2,4-dimethyl-1,3-thiazol-5-yl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(2,4-dimethyl-1,3-thiazol-5-yl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S997-0751 |
| Compound Name: | (2,4-dimethyl-1,3-thiazol-5-yl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C16 H25 N3 O4 S2 |
| Smiles: | Cc1c(C(N2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8562 |
| logD: | 0.8562 |
| logSw: | -1.4915 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.069 |
| InChI Key: | HGFWDUODYGONTB-CZUORRHYSA-N |