3,4-dimethoxy-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
Chemical Structure Depiction of
3,4-dimethoxy-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
3,4-dimethoxy-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
Compound characteristics
| Compound ID: | 0502-0035 |
| Compound Name: | 3,4-dimethoxy-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide |
| Molecular Weight: | 462.78 |
| Molecular Formula: | C18 H18 Cl3 N3 O3 S |
| Smiles: | COc1ccc(cc1OC)C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccccc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5925 |
| logD: | 3.3806 |
| logSw: | -4.0738 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.621 |
| InChI Key: | IUGTVPDXUCRGTR-INIZCTEOSA-N |