N-(4-bromo-2-methylphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-(4-bromo-2-methylphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C114-0097 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 409.26 |
| Molecular Formula: | C16 H13 Br N2 O4 S |
| Smiles: | Cc1cc(ccc1NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.3031 |
| logD: | 2.303 |
| logSw: | -3.0957 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.635 |
| InChI Key: | ZCNXNDAFHFXYTI-UHFFFAOYSA-N |