methyl 2-[({2,2,2-trichloro-1-[(furan-2-carbonyl)amino]ethyl}carbamothioyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[({2,2,2-trichloro-1-[(furan-2-carbonyl)amino]ethyl}carbamothioyl)amino]benzoate
methyl 2-[({2,2,2-trichloro-1-[(furan-2-carbonyl)amino]ethyl}carbamothioyl)amino]benzoate
Compound characteristics
| Compound ID: | 1309-0895 |
| Compound Name: | methyl 2-[({2,2,2-trichloro-1-[(furan-2-carbonyl)amino]ethyl}carbamothioyl)amino]benzoate |
| Molecular Weight: | 450.73 |
| Molecular Formula: | C16 H14 Cl3 N3 O4 S |
| Smiles: | COC(c1ccccc1NC(NC(C([Cl])([Cl])[Cl])NC(c1ccco1)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3869 |
| logD: | 2.9359 |
| logSw: | -3.8764 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.414 |
| InChI Key: | KRMPKAALERQMCP-AWEZNQCLSA-N |