3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide
3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1501-0688 |
| Compound Name: | 3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C16 H11 Cl5 N4 O3 S |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(NC(C([Cl])([Cl])[Cl])NC(Nc1cc(ccc1[Cl])[Cl])=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2047 |
| logD: | 3.3502 |
| logSw: | -5.8715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.044 |
| InChI Key: | LUXSWMIASWKIGH-AWEZNQCLSA-N |