methyl N-(3-chloro-4-methoxyphenyl)-N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-(3-chloro-4-methoxyphenyl)-N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
methyl N-(3-chloro-4-methoxyphenyl)-N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1042 |
| Compound Name: | methyl N-(3-chloro-4-methoxyphenyl)-N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 432.93 |
| Molecular Formula: | C20 H21 Cl N4 O3 S |
| Smiles: | COc1ccc(cc1OC)c1cc(/N=C(/Nc2ccc(c(c2)[Cl])OC)SC)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6786 |
| logD: | 4.1547 |
| logSw: | -5.0611 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.475 |
| InChI Key: | NDYPMFIPWMAGFR-UHFFFAOYSA-N |