methyl N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-N-[4-(propan-2-yl)phenyl]carbamimidothioate
Chemical Structure Depiction of
methyl N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-N-[4-(propan-2-yl)phenyl]carbamimidothioate
methyl N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-N-[4-(propan-2-yl)phenyl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1125 |
| Compound Name: | methyl N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-N-[4-(propan-2-yl)phenyl]carbamimidothioate |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C25 H32 N4 O2 S |
| Smiles: | CCOc1ccc(cc1OCC)c1c(C)n[nH]c1/N=C(/Nc1ccc(cc1)C(C)C)SC |
| Stereo: | ACHIRAL |
| logP: | 5.8642 |
| logD: | 5.862 |
| logSw: | -5.7488 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.653 |
| InChI Key: | APUGBYTVJPSAIQ-UHFFFAOYSA-N |