2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-(2,3-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-(2,3-dimethylphenyl)acetamide
2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-(2,3-dimethylphenyl)acetamide
Compound characteristics
Compound ID: | C989-0297 |
Compound Name: | 2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-(2,3-dimethylphenyl)acetamide |
Molecular Weight: | 457.55 |
Molecular Formula: | C23 H27 N3 O5 S |
Smiles: | Cc1cccc(c1C)NC(CN1C(=O)Oc2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9567 |
logD: | 3.9567 |
logSw: | -3.9885 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.561 |
InChI Key: | NFEFHZGETXOKRV-UHFFFAOYSA-N |