4-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]benzoic acid
Chemical Structure Depiction of
4-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]benzoic acid
4-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]benzoic acid
Compound characteristics
| Compound ID: | Y501-2081 |
| Compound Name: | 4-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]benzoic acid |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C28 H25 N3 O4 S |
| Smiles: | CC(C)COc1cccc(c1)c1cc(C(NC(Nc2ccc(cc2)C(O)=O)=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.0253 |
| logD: | 4.6301 |
| logSw: | -5.6796 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.206 |
| InChI Key: | WRLLFFXPRBBLEJ-UHFFFAOYSA-N |