rel-(1R,4S,6S)-6-[(benzenesulfonyl)amino]-N-(3,5-dimethoxyphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
Chemical Structure Depiction of
rel-(1R,4S,6S)-6-[(benzenesulfonyl)amino]-N-(3,5-dimethoxyphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
rel-(1R,4S,6S)-6-[(benzenesulfonyl)amino]-N-(3,5-dimethoxyphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
Compound characteristics
| Compound ID: | S033-0691 |
| Compound Name: | rel-(1R,4S,6S)-6-[(benzenesulfonyl)amino]-N-(3,5-dimethoxyphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C21 H25 N3 O5 S |
| Smiles: | COc1cc(cc(c1)OC)NC(N1C[C@@H]2C[C@@H]([C@H]1C2)NS(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2501 |
| logD: | 3.25 |
| logSw: | -3.795 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.565 |
| InChI Key: | AUXRBJYYVFIPRV-KPOBHBOGSA-N |