N-[ethyl(phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[ethyl(phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
N-[ethyl(phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-2133 |
| Compound Name: | N-[ethyl(phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C29 H29 N3 O2 S |
| Smiles: | CCN(C(NC(c1cc(c2cccc(c2)OCC(C)C)nc2ccccc12)=O)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.3074 |
| logD: | 7.3074 |
| logSw: | -5.8679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.573 |
| InChI Key: | PLHLHAZBVIKURN-UHFFFAOYSA-N |