4-bromo-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
4-bromo-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide
4-bromo-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0966-0006 |
| Compound Name: | 4-bromo-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 509.68 |
| Molecular Formula: | C18 H17 Br Cl3 N3 O S |
| Smiles: | Cc1ccc(C)c(c1)NC(NC(C([Cl])([Cl])[Cl])NC(c1ccc(cc1)[Br])=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2764 |
| logD: | 3.6169 |
| logSw: | -5.933 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 42.662 |
| InChI Key: | JPRMKUHOYCDIBG-INIZCTEOSA-N |