methyl N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-(4-ethoxyphenyl)carbamimidothioate
Chemical Structure Depiction of
methyl N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-(4-ethoxyphenyl)carbamimidothioate
methyl N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-(4-ethoxyphenyl)carbamimidothioate
Compound characteristics
| Compound ID: | D019-1040 |
| Compound Name: | methyl N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-(4-ethoxyphenyl)carbamimidothioate |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)N/C(=N/c1cc(c2ccc(c(c2)OC)OC)n[nH]1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.537 |
| logD: | 3.8019 |
| logSw: | -4.2876 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.968 |
| InChI Key: | LLALDJWFTLQDHR-UHFFFAOYSA-N |