N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-0286 |
| Compound Name: | N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide |
| Molecular Weight: | 534.47 |
| Molecular Formula: | C27 H24 Br N3 O2 S |
| Smiles: | CC(C)Oc1cccc(c1)c1cc(C(NC(Nc2ccc(C)cc2[Br])=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.5318 |
| logD: | 7.5316 |
| logSw: | -5.8647 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.404 |
| InChI Key: | WVAAXRPGWGRRSY-UHFFFAOYSA-N |