methyl 3-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}thiophene-2-carboxylate
methyl 3-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | K292-0276 |
| Compound Name: | methyl 3-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 344.81 |
| Molecular Formula: | C13 H10 Cl F N2 O2 S2 |
| Smiles: | COC(c1c(ccs1)NC(Nc1ccc(c(c1)[Cl])F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1898 |
| logD: | 4.1863 |
| logSw: | -4.3466 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.555 |
| InChI Key: | XIJNWZUFTPFSCA-UHFFFAOYSA-N |