methyl N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-N-[(furan-2-yl)methyl]carbamimidothioate
Chemical Structure Depiction of
methyl N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-N-[(furan-2-yl)methyl]carbamimidothioate
methyl N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-N-[(furan-2-yl)methyl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1048 |
| Compound Name: | methyl N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-N-[(furan-2-yl)methyl]carbamimidothioate |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C18 H20 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)c1cc(/N=C(/NCc2ccco2)SC)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2869 |
| logD: | 1.8669 |
| logSw: | -4.2026 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.778 |
| InChI Key: | CMICDUOQOAFAHI-UHFFFAOYSA-N |