4-iodo-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
4-iodo-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
4-iodo-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0602-0021 |
| Compound Name: | 4-iodo-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 573.62 |
| Molecular Formula: | C16 H12 Cl3 I N4 O3 S |
| Smiles: | c1cc(ccc1C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)[N+]([O-])=O)=S)=O)I |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2963 |
| logD: | 4.4177 |
| logSw: | -6.0393 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.741 |
| InChI Key: | VVUVZLOVGJVJJU-AWEZNQCLSA-N |