methyl N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-phenylcarbamimidothioate
Chemical Structure Depiction of
methyl N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-phenylcarbamimidothioate
methyl N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-phenylcarbamimidothioate
Compound characteristics
| Compound ID: | D019-1031 |
| Compound Name: | methyl N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-phenylcarbamimidothioate |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C19 H20 N4 O2 S |
| Smiles: | COc1ccc(cc1OC)c1cc(/N=C(/Nc2ccccc2)SC)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9763 |
| logD: | 3.2413 |
| logSw: | -4.2341 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.844 |
| InChI Key: | XATQFENDIQWRKH-UHFFFAOYSA-N |