4-bromo-N-(2,2,2-trichloro-1-{[(2-iodophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
4-bromo-N-(2,2,2-trichloro-1-{[(2-iodophenyl)carbamothioyl]amino}ethyl)benzamide
4-bromo-N-(2,2,2-trichloro-1-{[(2-iodophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0966-0020 |
| Compound Name: | 4-bromo-N-(2,2,2-trichloro-1-{[(2-iodophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 607.52 |
| Molecular Formula: | C16 H12 Br Cl3 I N3 O S |
| Smiles: | c1ccc(c(c1)NC(NC(C([Cl])([Cl])[Cl])NC(c1ccc(cc1)[Br])=O)=S)I |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5607 |
| logD: | 3.9012 |
| logSw: | -6.1219 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 42.662 |
| InChI Key: | HLLNUNHBSLAYRW-AWEZNQCLSA-N |