methyl N-(3-chloro-4-fluorophenyl)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-(3-chloro-4-fluorophenyl)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
methyl N-(3-chloro-4-fluorophenyl)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1108 |
| Compound Name: | methyl N-(3-chloro-4-fluorophenyl)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 392.86 |
| Molecular Formula: | C18 H15 Cl F2 N4 S |
| Smiles: | Cc1c(c2ccccc2F)c(/N=C(/Nc2ccc(c(c2)[Cl])F)SC)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1302 |
| logD: | 5.1289 |
| logSw: | -5.7827 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.233 |
| InChI Key: | KZNPDFXNOHEIAH-UHFFFAOYSA-N |