rel-(1R,4S,6S)-6-[(thiophene-2-sulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
Chemical Structure Depiction of
rel-(1R,4S,6S)-6-[(thiophene-2-sulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
rel-(1R,4S,6S)-6-[(thiophene-2-sulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
Compound characteristics
| Compound ID: | S033-1496 |
| Compound Name: | rel-(1R,4S,6S)-6-[(thiophene-2-sulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C18 H18 F3 N3 O3 S2 |
| Smiles: | C1[C@@H]2C[C@H]([C@H]1NS(c1cccs1)(=O)=O)N(C2)C(Nc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6527 |
| logD: | 3.6526 |
| logSw: | -4.0505 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.496 |
| InChI Key: | ZYOZGPOLJJCEMY-GLQYFDAESA-N |