N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-4-iodobenzamide
Chemical Structure Depiction of
N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-4-iodobenzamide
N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-4-iodobenzamide
Compound characteristics
| Compound ID: | 0602-0015 |
| Compound Name: | N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-4-iodobenzamide |
| Molecular Weight: | 607.52 |
| Molecular Formula: | C16 H12 Br Cl3 I N3 O S |
| Smiles: | c1cc(ccc1C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)[Br])=S)=O)I |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2045 |
| logD: | 5.326 |
| logSw: | -6.4649 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 43.36 |
| InChI Key: | XGICNHKIKQBLHK-AWEZNQCLSA-N |