N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide
N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-0195 |
| Compound Name: | N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C25 H20 N4 O4 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)NC(NC(c1cc(c2ccccc2)nc2ccccc12)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.6059 |
| logD: | 6.569 |
| logSw: | -5.8575 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.805 |
| InChI Key: | QCQSYPGZMRNASP-UHFFFAOYSA-N |