methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1052 |
| Compound Name: | methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 404.89 |
| Molecular Formula: | C19 H18 Cl F N4 O S |
| Smiles: | CCOc1ccc(cc1)c1cc(/N=C(/Nc2ccc(c(c2)[Cl])F)SC)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7665 |
| logD: | 5.2426 |
| logSw: | -6.1299 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.707 |
| InChI Key: | IBVQNEYYICYHFA-UHFFFAOYSA-N |