rel-(3aR,7aR)-2-acetyl-N,N-dimethyl-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
Chemical Structure Depiction of
rel-(3aR,7aR)-2-acetyl-N,N-dimethyl-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
rel-(3aR,7aR)-2-acetyl-N,N-dimethyl-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
Compound characteristics
| Compound ID: | SB23-1036 |
| Compound Name: | rel-(3aR,7aR)-2-acetyl-N,N-dimethyl-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C14 H24 N6 O3 S |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)c1nc(C)n[nH]1)S(N(C)C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5949 |
| logD: | -0.5955 |
| logSw: | -1.6025 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.988 |
| InChI Key: | QCLBGVMPCVFMDH-GXTWGEPZSA-N |