2-bromo-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
2-bromo-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
2-bromo-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0437-0074 |
| Compound Name: | 2-bromo-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 526.62 |
| Molecular Formula: | C16 H12 Br Cl3 N4 O3 S |
| Smiles: | c1ccc(c(c1)C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)[N+]([O-])=O)=S)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7033 |
| logD: | 3.0438 |
| logSw: | -5.0016 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.741 |
| InChI Key: | QTKMDOOPTWLBBE-AWEZNQCLSA-N |