N-{rel-(1R,4R,5R)-2-[(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}thiophene-2-sulfonamide
Chemical Structure Depiction of
N-{rel-(1R,4R,5R)-2-[(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}thiophene-2-sulfonamide
N-{rel-(1R,4R,5R)-2-[(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | S035-1286 |
| Compound Name: | N-{rel-(1R,4R,5R)-2-[(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}thiophene-2-sulfonamide |
| Molecular Weight: | 428.93 |
| Molecular Formula: | C18 H18 Cl F N2 O3 S2 |
| Smiles: | C(C(N1C[C@@H]2C[C@H]1C[C@@H]2NS(c1cccs1)(=O)=O)=O)c1c(cccc1[Cl])F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1373 |
| logD: | 3.1372 |
| logSw: | -3.5119 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.324 |
| InChI Key: | HTWMLGWURWXAKA-MQIPJXDCSA-N |