N~1~-{3-[N-methyl-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamido]propyl}-N~2~-(4-methylphenyl)ethanediamide
Chemical Structure Depiction of
N~1~-{3-[N-methyl-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamido]propyl}-N~2~-(4-methylphenyl)ethanediamide
N~1~-{3-[N-methyl-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamido]propyl}-N~2~-(4-methylphenyl)ethanediamide
Compound characteristics
| Compound ID: | 8017-7299 |
| Compound Name: | N~1~-{3-[N-methyl-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamido]propyl}-N~2~-(4-methylphenyl)ethanediamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | Cc1ccc(cc1)NC(C(NCCCN(C)C(CCN1C(=O)Sc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0567 |
| logD: | 1.9353 |
| logSw: | -2.7218 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.552 |
| InChI Key: | RLAGGENBWDNQGS-UHFFFAOYSA-N |