methyl N-(3-chloro-4-fluorophenyl)-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate
Chemical Structure Depiction of
methyl N-(3-chloro-4-fluorophenyl)-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate
methyl N-(3-chloro-4-fluorophenyl)-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate
Compound characteristics
| Compound ID: | D019-1010 |
| Compound Name: | methyl N-(3-chloro-4-fluorophenyl)-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate |
| Molecular Weight: | 360.84 |
| Molecular Formula: | C17 H14 Cl F N4 S |
| Smiles: | CSC(\Nc1ccc(c(c1)[Cl])F)=N/c1cc(c2ccccc2)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.2925 |
| logD: | 4.7686 |
| logSw: | -6.0539 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.583 |
| InChI Key: | PMOIGIKDYYVANZ-UHFFFAOYSA-N |