methyl N-(4-ethoxyphenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-(4-ethoxyphenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
methyl N-(4-ethoxyphenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1194 |
| Compound Name: | methyl N-(4-ethoxyphenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)N/C(=N/c1cc(c2cc(c(c(c2)OC)OC)OC)n[nH]1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.4954 |
| logD: | 3.7604 |
| logSw: | -4.2712 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.685 |
| InChI Key: | RELOROPWKUMVST-UHFFFAOYSA-N |