methyl N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-[4-(propan-2-yl)phenyl]carbamimidothioate
Chemical Structure Depiction of
methyl N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-[4-(propan-2-yl)phenyl]carbamimidothioate
methyl N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-[4-(propan-2-yl)phenyl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1041 |
| Compound Name: | methyl N'-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-N-[4-(propan-2-yl)phenyl]carbamimidothioate |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | CC(C)c1ccc(cc1)N/C(=N/c1cc(c2ccc(c(c2)OC)OC)n[nH]1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.5062 |
| logD: | 4.7712 |
| logSw: | -5.658 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.844 |
| InChI Key: | CICIEADPMMWVBY-UHFFFAOYSA-N |