rel-(3aR,7aS)-N-(2-ethoxyphenyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-N-(2-ethoxyphenyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aS)-N-(2-ethoxyphenyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S997-1289 |
| Compound Name: | rel-(3aR,7aS)-N-(2-ethoxyphenyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C19 H29 N3 O5 S |
| Smiles: | CCOc1ccccc1NC(N1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8005 |
| logD: | 1.8004 |
| logSw: | -2.4673 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.013 |
| InChI Key: | QTAUXZVTDZNEMV-DNVCBOLYSA-N |