3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-(4-methylphenyl)propanamide
Chemical Structure Depiction of
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-(4-methylphenyl)propanamide
3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-(4-methylphenyl)propanamide
Compound characteristics
| Compound ID: | F952-2903 |
| Compound Name: | 3-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]-N-(4-methylphenyl)propanamide |
| Molecular Weight: | 473.61 |
| Molecular Formula: | C23 H27 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1)NC(CCN1C(=O)Sc2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7571 |
| logD: | 4.7571 |
| logSw: | -4.3211 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.981 |
| InChI Key: | YGKWNBXOXRNCNT-UHFFFAOYSA-N |