methyl N-benzyl-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-benzyl-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
methyl N-benzyl-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1102 |
| Compound Name: | methyl N-benzyl-N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C19 H19 F N4 S |
| Smiles: | Cc1c(c2ccccc2F)c(/N=C(/NCc2ccccc2)SC)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8999 |
| logD: | 3.8549 |
| logSw: | -4.3903 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.555 |
| InChI Key: | ZHAPTIUWOHMAAG-UHFFFAOYSA-N |