methyl N-(4-ethoxyphenyl)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-(4-ethoxyphenyl)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
methyl N-(4-ethoxyphenyl)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1110 |
| Compound Name: | methyl N-(4-ethoxyphenyl)-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 384.47 |
| Molecular Formula: | C20 H21 F N4 O S |
| Smiles: | CCOc1ccc(cc1)N/C(=N/c1c(c2ccccc2F)c(C)n[nH]1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.769 |
| logD: | 4.7675 |
| logSw: | -4.6258 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.356 |
| InChI Key: | BEAUEBBNIFKMIE-UHFFFAOYSA-N |