N-[(4-bromopyridin-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(4-bromopyridin-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
N-[(4-bromopyridin-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-2116 |
| Compound Name: | N-[(4-bromopyridin-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide |
| Molecular Weight: | 535.46 |
| Molecular Formula: | C26 H23 Br N4 O2 S |
| Smiles: | CC(C)COc1cccc(c1)c1cc(C(NC(Nc2cc(ccn2)[Br])=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.2956 |
| logD: | 7.279 |
| logSw: | -5.9149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.413 |
| InChI Key: | ODHBLHOCOQSOCM-UHFFFAOYSA-N |