3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-[(3-methylphenyl)methyl]propanamide
Chemical Structure Depiction of
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-[(3-methylphenyl)methyl]propanamide
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-[(3-methylphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | F952-3054 |
| Compound Name: | 3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-[(3-methylphenyl)methyl]propanamide |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C24 H29 N3 O4 S2 |
| Smiles: | Cc1cccc(CNC(CCN2C(=O)Sc3cc(ccc23)S(N2CCCCCC2)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7224 |
| logD: | 4.7224 |
| logSw: | -4.3265 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.303 |
| InChI Key: | PBGNMCCSMZXPPT-UHFFFAOYSA-N |