2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-(3-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-(3-chloro-4-fluorophenyl)acetamide
2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | K906-3012 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 481.93 |
| Molecular Formula: | C21 H21 Cl F N3 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)OC(N2CC(Nc1ccc(c(c1)[Cl])F)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0563 |
| logD: | 4.0478 |
| logSw: | -4.4673 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.258 |
| InChI Key: | OZSQGHVZYAPEDI-UHFFFAOYSA-N |