(isoquinolin-1-yl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(isoquinolin-1-yl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(isoquinolin-1-yl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S997-1223 |
| Compound Name: | (isoquinolin-1-yl)[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C20 H25 N3 O4 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(c1c2ccccc2ccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1344 |
| logD: | 1.1344 |
| logSw: | -2.3763 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.227 |
| InChI Key: | OQRZHRUCSCCBKD-OXQOHEQNSA-N |