methyl N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-N-phenylcarbamimidothioate
Chemical Structure Depiction of
methyl N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-N-phenylcarbamimidothioate
methyl N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-N-phenylcarbamimidothioate
Compound characteristics
| Compound ID: | D019-1115 |
| Compound Name: | methyl N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-N-phenylcarbamimidothioate |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | CCOc1ccc(cc1OCC)c1c(C)n[nH]c1/N=C(/Nc1ccccc1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.3343 |
| logD: | 4.3321 |
| logSw: | -4.4145 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.653 |
| InChI Key: | IEKVJKFBGAPYAC-UHFFFAOYSA-N |