rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-N-(3-methylbutyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-N-(3-methylbutyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-N-(3-methylbutyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S997-1293 |
| Compound Name: | rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-N-(3-methylbutyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 361.5 |
| Molecular Formula: | C16 H31 N3 O4 S |
| Smiles: | CC(C)CCNC(N1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3668 |
| logD: | 1.3668 |
| logSw: | -2.1028 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.936 |
| InChI Key: | PVRLPXZZGRZYLW-GDBMZVCRSA-N |