methyl N-(3-chloro-4-methoxyphenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-(3-chloro-4-methoxyphenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
methyl N-(3-chloro-4-methoxyphenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1196 |
| Compound Name: | methyl N-(3-chloro-4-methoxyphenyl)-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 462.95 |
| Molecular Formula: | C21 H23 Cl N4 O4 S |
| Smiles: | COc1ccc(cc1[Cl])N/C(=N/c1cc(c2cc(c(c(c2)OC)OC)OC)n[nH]1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.6371 |
| logD: | 4.1132 |
| logSw: | -4.9761 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.192 |
| InChI Key: | WAOROHNJIBSPJW-UHFFFAOYSA-N |