methyl N-benzyl-N'-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-benzyl-N'-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
methyl N-benzyl-N'-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1158 |
| Compound Name: | methyl N-benzyl-N'-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | COc1ccc(c(c1)OC)c1cc(/N=C(/NCc2ccccc2)SC)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9219 |
| logD: | 1.8991 |
| logSw: | -4.1952 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.08 |
| InChI Key: | UDMQCAVALUUTLE-UHFFFAOYSA-N |