3-[({2,2,2-trichloro-1-[(furan-2-carbonyl)amino]ethyl}carbamothioyl)amino]benzoic acid
Chemical Structure Depiction of
3-[({2,2,2-trichloro-1-[(furan-2-carbonyl)amino]ethyl}carbamothioyl)amino]benzoic acid
3-[({2,2,2-trichloro-1-[(furan-2-carbonyl)amino]ethyl}carbamothioyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 0649-0129 |
| Compound Name: | 3-[({2,2,2-trichloro-1-[(furan-2-carbonyl)amino]ethyl}carbamothioyl)amino]benzoic acid |
| Molecular Weight: | 436.7 |
| Molecular Formula: | C15 H12 Cl3 N3 O4 S |
| Smiles: | c1cc(cc(c1)NC(NC(C([Cl])([Cl])[Cl])NC(c1ccco1)=O)=S)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.545 |
| logD: | 0.6591 |
| logSw: | -3.8147 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 80.346 |
| InChI Key: | NXXVMIZHTPAUIK-ZDUSSCGKSA-N |