N-{rel-(1R,4R,5R)-2-[(3-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}benzenesulfonamide
Chemical Structure Depiction of
N-{rel-(1R,4R,5R)-2-[(3-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}benzenesulfonamide
N-{rel-(1R,4R,5R)-2-[(3-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}benzenesulfonamide
Compound characteristics
| Compound ID: | S035-0458 |
| Compound Name: | N-{rel-(1R,4R,5R)-2-[(3-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl}benzenesulfonamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | COc1cccc(CC(N2C[C@@H]3C[C@H]2C[C@@H]3NS(c2ccccc2)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9076 |
| logD: | 2.9075 |
| logSw: | -3.6167 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.85 |
| InChI Key: | UBBDVZXISQGRDS-ZWOKBUDYSA-N |