2-[({2,2,2-trichloro-1-[(furan-2-carbonyl)amino]ethyl}carbamothioyl)amino]benzoic acid
Chemical Structure Depiction of
2-[({2,2,2-trichloro-1-[(furan-2-carbonyl)amino]ethyl}carbamothioyl)amino]benzoic acid
2-[({2,2,2-trichloro-1-[(furan-2-carbonyl)amino]ethyl}carbamothioyl)amino]benzoic acid
Compound characteristics
Compound ID: | 0687-1401 |
Compound Name: | 2-[({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: | c1ccc(c(c1)C(O)=O)NC(NC(C([Cl])([Cl])[Cl])NC(c1ccco1)=O)=S |
Stereo: | RACEMIC MIXTURE |
logP: | 3.649 |
logD: | 0.43 |
logSw: | -3.9344 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 79.648 |
InChI Key: | OQBWQDBANSEVKC-ZDUSSCGKSA-N |