3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-(4-fluorophenyl)propanamide
Chemical Structure Depiction of
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-(4-fluorophenyl)propanamide
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-(4-fluorophenyl)propanamide
Compound characteristics
| Compound ID: | F952-2770 |
| Compound Name: | 3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-(4-fluorophenyl)propanamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C22 H24 F N3 O4 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)SC(N2CCC(Nc1ccc(cc1)F)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3628 |
| logD: | 4.3619 |
| logSw: | -4.1789 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.981 |
| InChI Key: | ASGGEPHQJUGPIE-UHFFFAOYSA-N |