methyl N-(3-chloro-4-methoxyphenyl)-N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-(3-chloro-4-methoxyphenyl)-N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
methyl N-(3-chloro-4-methoxyphenyl)-N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1126 |
| Compound Name: | methyl N-(3-chloro-4-methoxyphenyl)-N'-[4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 475.01 |
| Molecular Formula: | C23 H27 Cl N4 O3 S |
| Smiles: | CCOc1ccc(cc1OCC)c1c(C)n[nH]c1/N=C(/Nc1ccc(c(c1)[Cl])OC)SC |
| Stereo: | ACHIRAL |
| logP: | 5.0366 |
| logD: | 5.0355 |
| logSw: | -5.6675 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.284 |
| InChI Key: | YAJDGMFFQHJRDM-UHFFFAOYSA-N |