N-[2,2,2-trichloro-1-(2-methoxyanilino)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-(2-methoxyanilino)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[2,2,2-trichloro-1-(2-methoxyanilino)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 5310-4800 |
| Compound Name: | N-[2,2,2-trichloro-1-(2-methoxyanilino)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 492.76 |
| Molecular Formula: | C18 H16 Cl3 N3 O5 S |
| Smiles: | COc1ccccc1NC(C([Cl])([Cl])[Cl])NC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2005 |
| logD: | 2.1991 |
| logSw: | -3.2653 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.386 |
| InChI Key: | UFPJUAIHYJXJKE-QGZVFWFLSA-N |