N-(4-bromo-3-methylphenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
N-(4-bromo-3-methylphenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | 5983-5286 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide |
| Molecular Weight: | 423.28 |
| Molecular Formula: | C17 H15 Br N2 O4 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6427 |
| logD: | 2.6426 |
| logSw: | -3.3751 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.312 |
| InChI Key: | ZXJRPDGBIZNHRH-UHFFFAOYSA-N |