methyl N'-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(oxolan-2-yl)methyl]carbamimidothioate
Chemical Structure Depiction of
methyl N'-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(oxolan-2-yl)methyl]carbamimidothioate
methyl N'-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(oxolan-2-yl)methyl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1133 |
| Compound Name: | methyl N'-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(oxolan-2-yl)methyl]carbamimidothioate |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | COc1ccccc1c1cc(/N=C(/NCC2CCCO2)SC)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.543 |
| logD: | 1.6853 |
| logSw: | -2.9315 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.19 |
| InChI Key: | LPSHZFPJCMPTMQ-GFCCVEGCSA-N |