methyl 4-{[(2-phenylquinoline-4-carbonyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[(2-phenylquinoline-4-carbonyl)carbamothioyl]amino}benzoate
methyl 4-{[(2-phenylquinoline-4-carbonyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | Y501-2922 |
| Compound Name: | methyl 4-{[(2-phenylquinoline-4-carbonyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C25 H19 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(NC(c1cc(c2ccccc2)nc2ccccc12)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9234 |
| logD: | 5.9233 |
| logSw: | -5.8652 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.473 |
| InChI Key: | VKXGPLFAXZZVQV-UHFFFAOYSA-N |