3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-phenylpropanamide
Chemical Structure Depiction of
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-phenylpropanamide
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-phenylpropanamide
Compound characteristics
| Compound ID: | F952-2942 |
| Compound Name: | 3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-phenylpropanamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)SC(N2CCC(Nc1ccccc1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.142 |
| logD: | 4.1419 |
| logSw: | -4.1504 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.981 |
| InChI Key: | YEWQKNRPXTVNMU-UHFFFAOYSA-N |