4-iodo-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
4-iodo-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)benzamide
4-iodo-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0602-0004 |
| Compound Name: | 4-iodo-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 542.65 |
| Molecular Formula: | C17 H15 Cl3 I N3 O S |
| Smiles: | Cc1ccccc1NC(NC(C([Cl])([Cl])[Cl])NC(c1ccc(cc1)I)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4068 |
| logD: | 4.5282 |
| logSw: | -6.0572 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 42.662 |
| InChI Key: | JKNCGMAEUBWZHY-HNNXBMFYSA-N |