methyl N'-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-phenylcarbamimidothioate
Chemical Structure Depiction of
methyl N'-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-phenylcarbamimidothioate
methyl N'-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-phenylcarbamimidothioate
Compound characteristics
| Compound ID: | D019-1143 |
| Compound Name: | methyl N'-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-phenylcarbamimidothioate |
| Molecular Weight: | 338.43 |
| Molecular Formula: | C18 H18 N4 O S |
| Smiles: | COc1cccc(c1)c1cc(/N=C(/Nc2ccccc2)SC)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4142 |
| logD: | 3.6792 |
| logSw: | -4.4445 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.127 |
| InChI Key: | BWUUEOIFEKLVKD-UHFFFAOYSA-N |