N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-0312 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C28 H27 N3 O4 S |
| Smiles: | CC(C)Oc1cccc(c1)c1cc(C(NC(Nc2cc(ccc2OC)OC)=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.4338 |
| logD: | 6.4331 |
| logSw: | -5.9678 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.578 |
| InChI Key: | LKNQQNHVKQOMCU-UHFFFAOYSA-N |