N-[(3-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(3-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide
N-[(3-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-2918 |
| Compound Name: | N-[(3-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C23 H16 N4 O3 S |
| Smiles: | c1ccc(cc1)c1cc(C(NC(Nc2cccc(c2)[N+]([O-])=O)=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.9004 |
| logD: | 5.8994 |
| logSw: | -6.1968 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.68 |
| InChI Key: | NIHJQLQPSZDXKP-UHFFFAOYSA-N |