methyl N-(3-chloro-4-methoxyphenyl)-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate
Chemical Structure Depiction of
methyl N-(3-chloro-4-methoxyphenyl)-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate
methyl N-(3-chloro-4-methoxyphenyl)-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate
Compound characteristics
| Compound ID: | D019-1014 |
| Compound Name: | methyl N-(3-chloro-4-methoxyphenyl)-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate |
| Molecular Weight: | 372.87 |
| Molecular Formula: | C18 H17 Cl N4 O S |
| Smiles: | COc1ccc(cc1[Cl])N/C(=N/c1cc(c2ccccc2)n[nH]1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.073 |
| logD: | 4.5491 |
| logSw: | -5.5494 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.214 |
| InChI Key: | FMYIVWQJOPDWHB-UHFFFAOYSA-N |