methyl N-(3-chloro-4-fluorophenyl)-N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-(3-chloro-4-fluorophenyl)-N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
methyl N-(3-chloro-4-fluorophenyl)-N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1122 |
| Compound Name: | methyl N-(3-chloro-4-fluorophenyl)-N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 462.97 |
| Molecular Formula: | C22 H24 Cl F N4 O2 S |
| Smiles: | CCOc1ccc(cc1OCC)c1c(C)n[nH]c1/N=C(/Nc1ccc(c(c1)[Cl])F)SC |
| Stereo: | ACHIRAL |
| logP: | 5.2562 |
| logD: | 5.2545 |
| logSw: | -6.1301 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.653 |
| InChI Key: | ZZGFGCJBBISALH-UHFFFAOYSA-N |