methyl N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-N-(2-methylphenyl)carbamimidothioate
Chemical Structure Depiction of
methyl N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-N-(2-methylphenyl)carbamimidothioate
methyl N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-N-(2-methylphenyl)carbamimidothioate
Compound characteristics
| Compound ID: | D019-1053 |
| Compound Name: | methyl N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-N-(2-methylphenyl)carbamimidothioate |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C20 H22 N4 O S |
| Smiles: | CCOc1ccc(cc1)c1cc(/N=C(/Nc2ccccc2C)SC)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1196 |
| logD: | 4.3241 |
| logSw: | -4.9834 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.009 |
| InChI Key: | BGXTZYAIHJNCHC-UHFFFAOYSA-N |