3-nitro-N-[2,2,2-trichloro-1-({[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}amino)ethyl]benzamide
Chemical Structure Depiction of
3-nitro-N-[2,2,2-trichloro-1-({[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}amino)ethyl]benzamide
3-nitro-N-[2,2,2-trichloro-1-({[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}amino)ethyl]benzamide
Compound characteristics
| Compound ID: | 1501-0691 |
| Compound Name: | 3-nitro-N-[2,2,2-trichloro-1-({[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}amino)ethyl]benzamide |
| Molecular Weight: | 550.17 |
| Molecular Formula: | C17 H11 Cl4 F3 N4 O3 S |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(NC(C([Cl])([Cl])[Cl])NC(Nc1cc(ccc1[Cl])C(F)(F)F)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5721 |
| logD: | 3.7176 |
| logSw: | -6.2042 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.044 |
| InChI Key: | VGZHRWGNIPZBBX-AWEZNQCLSA-N |