2-cyclopropyl-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-cyclopropyl-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
2-cyclopropyl-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1255 |
| Compound Name: | 2-cyclopropyl-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 330.44 |
| Molecular Formula: | C15 H26 N2 O4 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(CC1CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3724 |
| logD: | 0.3724 |
| logSw: | -1.3888 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.676 |
| InChI Key: | OFCRLONGYYYXCU-UKRRQHHQSA-N |