N-[2,2,2-trichloro-1-(3,4-dimethylanilino)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[2,2,2-trichloro-1-(3,4-dimethylanilino)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[2,2,2-trichloro-1-(3,4-dimethylanilino)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 5310-5011 |
| Compound Name: | N-[2,2,2-trichloro-1-(3,4-dimethylanilino)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 490.79 |
| Molecular Formula: | C19 H18 Cl3 N3 O4 S |
| Smiles: | Cc1ccc(cc1C)NC(C([Cl])([Cl])[Cl])NC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3682 |
| logD: | 3.3636 |
| logSw: | -3.8546 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.453 |
| InChI Key: | RDOQXPLXXHJREO-GOSISDBHSA-N |