rel-(3aR,7aS)-5-(4-chloro-3-methylbenzene-1-sulfonyl)-7a-[(dimethylamino)methyl]-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-5-(4-chloro-3-methylbenzene-1-sulfonyl)-7a-[(dimethylamino)methyl]-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-5-(4-chloro-3-methylbenzene-1-sulfonyl)-7a-[(dimethylamino)methyl]-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | CM2431B-6852 |
| Compound Name: | rel-(3aR,7aS)-5-(4-chloro-3-methylbenzene-1-sulfonyl)-7a-[(dimethylamino)methyl]-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 443.01 |
| Molecular Formula: | C20 H31 Cl N4 O3 S |
| Smiles: | Cc1cc(ccc1[Cl])S(N1CC[C@]2(CN(C)C)CN(C[C@@H]2C1)C(N(C)C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6197 |
| logD: | -0.2581 |
| logSw: | -3.1775 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.538 |
| InChI Key: | VMPFEKNVVDXLAA-UZLBHIALSA-N |