rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-N-(2-phenylethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-N-(2-phenylethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-N-(2-phenylethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S997-0788 |
| Compound Name: | rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-N-(2-phenylethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C19 H29 N3 O4 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(NCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2739 |
| logD: | 1.2739 |
| logSw: | -2.2441 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.665 |
| InChI Key: | YNSIMLPQVXZJLB-IEBWSBKVSA-N |