2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide
2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | K906-2901 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C24 H30 N4 O5 S |
| Smiles: | CN(C)c1ccc(CNC(CN2C(=O)Oc3cc(ccc23)S(N2CCCCCC2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9939 |
| logD: | 2.9785 |
| logSw: | -3.6128 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.385 |
| InChI Key: | UHODNQKTCNXGTO-UHFFFAOYSA-N |