3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-benzylpropanamide
Chemical Structure Depiction of
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-benzylpropanamide
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-benzylpropanamide
Compound characteristics
Compound ID: | F952-2921 |
Compound Name: | 3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-benzylpropanamide |
Molecular Weight: | 473.61 |
Molecular Formula: | C23 H27 N3 O4 S2 |
Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)SC(N2CCC(NCc1ccccc1)=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.034 |
logD: | 4.034 |
logSw: | -4.0835 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.303 |
InChI Key: | QFKGIGWTAQDBPA-UHFFFAOYSA-N |