methyl N-ethyl-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate
Chemical Structure Depiction of
methyl N-ethyl-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate
methyl N-ethyl-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate
Compound characteristics
| Compound ID: | D019-1002 |
| Compound Name: | methyl N-ethyl-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate |
| Molecular Weight: | 260.36 |
| Molecular Formula: | C13 H16 N4 S |
| Smiles: | CCN/C(=N/c1cc(c2ccccc2)n[nH]1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.0079 |
| logD: | 0.9451 |
| logSw: | -3.1184 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.803 |
| InChI Key: | NSONDFWINXCGPR-UHFFFAOYSA-N |