methyl 3-{[(3-chloro-4-methylphenyl)carbamothioyl]amino}-4-[(4-fluorophenyl)sulfanyl]benzoate
Chemical Structure Depiction of
methyl 3-{[(3-chloro-4-methylphenyl)carbamothioyl]amino}-4-[(4-fluorophenyl)sulfanyl]benzoate
methyl 3-{[(3-chloro-4-methylphenyl)carbamothioyl]amino}-4-[(4-fluorophenyl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | K786-1335 |
| Compound Name: | methyl 3-{[(3-chloro-4-methylphenyl)carbamothioyl]amino}-4-[(4-fluorophenyl)sulfanyl]benzoate |
| Molecular Weight: | 460.98 |
| Molecular Formula: | C22 H18 Cl F N2 O2 S2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(Nc1cc(ccc1Sc1ccc(cc1)F)C(=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 7.6864 |
| logD: | 7.6864 |
| logSw: | -6.6679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.265 |
| InChI Key: | NUJCKOCOFZZZOD-UHFFFAOYSA-N |