3-nitro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
Chemical Structure Depiction of
3-nitro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
3-nitro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
Compound characteristics
| Compound ID: | 0687-1151 |
| Compound Name: | 3-nitro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide |
| Molecular Weight: | 447.73 |
| Molecular Formula: | C16 H13 Cl3 N4 O3 S |
| Smiles: | c1ccc(cc1)NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)[N+]([O-])=O)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9142 |
| logD: | 2.0596 |
| logSw: | -4.5016 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.741 |
| InChI Key: | STAHKGNKLAIAAJ-AWEZNQCLSA-N |