3-nitro-N-(2,2,2-trichloro-1-{[(2,4,6-trichlorophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-nitro-N-(2,2,2-trichloro-1-{[(2,4,6-trichlorophenyl)carbamothioyl]amino}ethyl)benzamide
3-nitro-N-(2,2,2-trichloro-1-{[(2,4,6-trichlorophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1501-0689 |
| Compound Name: | 3-nitro-N-(2,2,2-trichloro-1-{[(2,4,6-trichlorophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 551.06 |
| Molecular Formula: | C16 H10 Cl6 N4 O3 S |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(NC(C([Cl])([Cl])[Cl])NC(Nc1c(cc(cc1[Cl])[Cl])[Cl])=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4857 |
| logD: | 3.6311 |
| logSw: | -6.1415 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.346 |
| InChI Key: | JODFXFAPYDAWQK-AWEZNQCLSA-N |