N-(4-bromo-2-fluorophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-(4-bromo-2-fluorophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C114-0093 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 413.22 |
| Molecular Formula: | C15 H10 Br F N2 O4 S |
| Smiles: | C(C(Nc1ccc(cc1F)[Br])=O)N1C(c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1654 |
| logD: | 2.1607 |
| logSw: | -3.1818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.635 |
| InChI Key: | YLGBMMUZMNKKIW-UHFFFAOYSA-N |