2-[3-(2-methylpropoxy)phenyl]-N-[(4-nitrophenyl)carbamothioyl]quinoline-4-carboxamide
Chemical Structure Depiction of
2-[3-(2-methylpropoxy)phenyl]-N-[(4-nitrophenyl)carbamothioyl]quinoline-4-carboxamide
2-[3-(2-methylpropoxy)phenyl]-N-[(4-nitrophenyl)carbamothioyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-2134 |
| Compound Name: | 2-[3-(2-methylpropoxy)phenyl]-N-[(4-nitrophenyl)carbamothioyl]quinoline-4-carboxamide |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H24 N4 O4 S |
| Smiles: | CC(C)COc1cccc(c1)c1cc(C(NC(Nc2ccc(cc2)[N+]([O-])=O)=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.1027 |
| logD: | 7.1005 |
| logSw: | -5.9479 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.18 |
| InChI Key: | CPBOEGNQXYFRNP-UHFFFAOYSA-N |