methyl 2-chloro-4-{[(4-fluorobenzoyl)carbamothioyl]amino}-5-methoxybenzoate
Chemical Structure Depiction of
methyl 2-chloro-4-{[(4-fluorobenzoyl)carbamothioyl]amino}-5-methoxybenzoate
methyl 2-chloro-4-{[(4-fluorobenzoyl)carbamothioyl]amino}-5-methoxybenzoate
Compound characteristics
| Compound ID: | 1683-6249 |
| Compound Name: | methyl 2-chloro-4-{[(4-fluorobenzoyl)carbamothioyl]amino}-5-methoxybenzoate |
| Molecular Weight: | 396.82 |
| Molecular Formula: | C17 H14 Cl F N2 O4 S |
| Smiles: | COC(c1cc(c(cc1[Cl])NC(NC(c1ccc(cc1)F)=O)=S)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.249 |
| logD: | 4.1563 |
| logSw: | -4.678 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.346 |
| InChI Key: | QXLZPONONWMINI-UHFFFAOYSA-N |