ethyl 4-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]benzoate
ethyl 4-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]benzoate
Compound characteristics
| Compound ID: | Y501-2112 |
| Compound Name: | ethyl 4-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]benzoate |
| Molecular Weight: | 527.64 |
| Molecular Formula: | C30 H29 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NC(c1cc(c2cccc(c2)OCC(C)C)nc2ccccc12)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7785 |
| logD: | 7.7783 |
| logSw: | -5.9229 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.552 |
| InChI Key: | PHIYZAHCFPBSQE-UHFFFAOYSA-N |