[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl]{3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl}methanone
Chemical Structure Depiction of
[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl]{3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl}methanone
[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl]{3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl}methanone
Compound characteristics
| Compound ID: | S544-1392 |
| Compound Name: | [1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl]{3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl}methanone |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C25 H30 N4 O6 S |
| Smiles: | COc1ccccc1OCCC1CCN(C1)C(C1CCN(CC1)S(c1cccc2c1non2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6215 |
| logD: | 3.6215 |
| logSw: | -3.7034 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.85 |
| InChI Key: | AVJLXQNHHACVIY-SFHVURJKSA-N |