methyl N-(2-methylphenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-(2-methylphenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
methyl N-(2-methylphenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1193 |
| Compound Name: | methyl N-(2-methylphenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | Cc1ccccc1N/C(=N/c1cc(c2cc(c(c(c2)OC)OC)OC)n[nH]1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.2097 |
| logD: | 3.4142 |
| logSw: | -4.334 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.863 |
| InChI Key: | XOQDQIKFAOFZFR-UHFFFAOYSA-N |