methyl N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-N-[(oxolan-2-yl)methyl]carbamimidothioate
Chemical Structure Depiction of
methyl N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-N-[(oxolan-2-yl)methyl]carbamimidothioate
methyl N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-N-[(oxolan-2-yl)methyl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1105 |
| Compound Name: | methyl N'-[4-(2-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-N-[(oxolan-2-yl)methyl]carbamimidothioate |
| Molecular Weight: | 348.44 |
| Molecular Formula: | C17 H21 F N4 O S |
| Smiles: | Cc1c(c2ccccc2F)c(/N=C(/NCC2CCCO2)SC)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7206 |
| logD: | 2.7177 |
| logSw: | -3.3187 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.209 |
| InChI Key: | BSPHKNODKIQCJG-GFCCVEGCSA-N |