methyl N-(4-ethoxyphenyl)-N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-(4-ethoxyphenyl)-N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
methyl N-(4-ethoxyphenyl)-N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
Compound ID: | D019-1054 |
Compound Name: | methyl N-(4-ethoxyphenyl)-N'-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate |
Molecular Weight: | 396.51 |
Molecular Formula: | C21 H24 N4 O2 S |
Smiles: | CCOc1ccc(cc1)c1cc(/N=C(/Nc2ccc(cc2)OCC)SC)[nH]n1 |
Stereo: | ACHIRAL |
logP: | 5.4053 |
logD: | 4.6703 |
logSw: | -5.4775 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 54.831 |
InChI Key: | OUZYLRFCVILTLV-UHFFFAOYSA-N |