methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1164 |
| Compound Name: | methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 420.89 |
| Molecular Formula: | C19 H18 Cl F N4 O2 S |
| Smiles: | COc1ccc(c(c1)OC)c1cc(/N=C(/Nc2ccc(c(c2)[Cl])F)SC)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1522 |
| logD: | 4.7113 |
| logSw: | -5.6221 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.758 |
| InChI Key: | WSVMOZWWKMSLSZ-UHFFFAOYSA-N |