4-methoxy-N-[2,2,2-trichloro-1-({[4-(phenyldiazenyl)phenyl]carbamothioyl}amino)ethyl]benzamide
Chemical Structure Depiction of
4-methoxy-N-[2,2,2-trichloro-1-({[4-(phenyldiazenyl)phenyl]carbamothioyl}amino)ethyl]benzamide
4-methoxy-N-[2,2,2-trichloro-1-({[4-(phenyldiazenyl)phenyl]carbamothioyl}amino)ethyl]benzamide
Compound characteristics
| Compound ID: | 1309-1056 |
| Compound Name: | 4-methoxy-N-[2,2,2-trichloro-1-({[4-(phenyldiazenyl)phenyl]carbamothioyl}amino)ethyl]benzamide |
| Molecular Weight: | 536.87 |
| Molecular Formula: | C23 H20 Cl3 N5 O2 S |
| Smiles: | COc1ccc(cc1)C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)/N=N\c1ccccc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1303 |
| logD: | 5.5801 |
| logSw: | -6.2211 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.591 |
| InChI Key: | CUXQMUXMNKAQPA-NRFANRHFSA-N |