2-{[(2-phenylquinoline-4-carbonyl)carbamothioyl]amino}benzoic acid
Chemical Structure Depiction of
2-{[(2-phenylquinoline-4-carbonyl)carbamothioyl]amino}benzoic acid
2-{[(2-phenylquinoline-4-carbonyl)carbamothioyl]amino}benzoic acid
Compound characteristics
| Compound ID: | Y501-2929 |
| Compound Name: | 2-{[(2-phenylquinoline-4-carbonyl)carbamothioyl]amino}benzoic acid |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C24 H17 N3 O3 S |
| Smiles: | c1ccc(cc1)c1cc(C(NC(Nc2ccccc2C(O)=O)=S)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0606 |
| logD: | 2.8416 |
| logSw: | -5.8834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.009 |
| InChI Key: | TVBUDTLKKNCTRP-UHFFFAOYSA-N |