N-[benzyl(phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[benzyl(phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
N-[benzyl(phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-2136 |
| Compound Name: | N-[benzyl(phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide |
| Molecular Weight: | 545.7 |
| Molecular Formula: | C34 H31 N3 O2 S |
| Smiles: | CC(C)COc1cccc(c1)c1cc(C(NC(N(Cc2ccccc2)c2ccccc2)=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 8.6095 |
| logD: | 8.6095 |
| logSw: | -5.9182 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.577 |
| InChI Key: | NQMPZMAWUFWRNS-UHFFFAOYSA-N |