N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-0287 |
| Compound Name: | N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C28 H26 N4 O5 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)NC(NC(c1cc(c2cccc(c2)OC(C)C)nc2ccccc12)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 7.2823 |
| logD: | 7.2454 |
| logSw: | -5.8536 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.608 |
| InChI Key: | FWEOIKVYIQNWLL-UHFFFAOYSA-N |