N-[1-(3-acetylanilino)-2,2,2-trichloroethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[1-(3-acetylanilino)-2,2,2-trichloroethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[1-(3-acetylanilino)-2,2,2-trichloroethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 5310-5017 |
| Compound Name: | N-[1-(3-acetylanilino)-2,2,2-trichloroethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 504.77 |
| Molecular Formula: | C19 H16 Cl3 N3 O5 S |
| Smiles: | CC(c1cccc(c1)NC(C([Cl])([Cl])[Cl])NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1217 |
| logD: | 2.1171 |
| logSw: | -3.4822 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.28 |
| InChI Key: | JJCGDYMYRSCXIQ-GOSISDBHSA-N |