3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-(3-cyanophenyl)propanamide
Chemical Structure Depiction of
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-(3-cyanophenyl)propanamide
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-(3-cyanophenyl)propanamide
Compound characteristics
| Compound ID: | F952-2852 |
| Compound Name: | 3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-(3-cyanophenyl)propanamide |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C23 H24 N4 O4 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)SC(N2CCC(Nc1cccc(C#N)c1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1946 |
| logD: | 4.1938 |
| logSw: | -4.1972 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.037 |
| InChI Key: | FKTUMBYYQIOEIF-UHFFFAOYSA-N |