methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1192 |
| Compound Name: | methyl N-(3-chloro-4-fluorophenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 450.92 |
| Molecular Formula: | C20 H20 Cl F N4 O3 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(/N=C(/Nc2ccc(c(c2)[Cl])F)SC)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8566 |
| logD: | 4.3327 |
| logSw: | -5.0893 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.561 |
| InChI Key: | DXJHYWJJTPIQIX-UHFFFAOYSA-N |