N-[2,2,2-trichloro-1-(3-methylanilino)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-methylanilino)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 5310-5008 |
| Compound Name: | N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 476.76 |
| Molecular Formula: | C18 H16 Cl3 N3 O4 S |
| Smiles: | Cc1cccc(c1)NC(C([Cl])([Cl])[Cl])NC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7408 |
| logD: | 2.7362 |
| logSw: | -3.7122 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.453 |
| InChI Key: | FVHUMMISDPBJEO-QGZVFWFLSA-N |