rel-(3aR,7aS)-5-(2,3-dihydro-1H-indene-5-sulfonyl)-7a-[(dimethylamino)methyl]-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-5-(2,3-dihydro-1H-indene-5-sulfonyl)-7a-[(dimethylamino)methyl]-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-5-(2,3-dihydro-1H-indene-5-sulfonyl)-7a-[(dimethylamino)methyl]-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | CM2431B-6432 |
| Compound Name: | rel-(3aR,7aS)-5-(2,3-dihydro-1H-indene-5-sulfonyl)-7a-[(dimethylamino)methyl]-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 434.6 |
| Molecular Formula: | C22 H34 N4 O3 S |
| Smiles: | CN(C)C[C@@]12CCN(C[C@H]2CN(C1)C(N(C)C)=O)S(c1ccc2CCCc2c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2915 |
| logD: | -0.5863 |
| logSw: | -2.8093 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.824 |
| InChI Key: | QTONGOMMZKFVGY-KNQAVFIVSA-N |