methyl N-[4-(propan-2-yl)phenyl]-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Chemical Structure Depiction of
methyl N-[4-(propan-2-yl)phenyl]-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
methyl N-[4-(propan-2-yl)phenyl]-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate
Compound characteristics
| Compound ID: | D019-1195 |
| Compound Name: | methyl N-[4-(propan-2-yl)phenyl]-N'-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]carbamimidothioate |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | CC(C)c1ccc(cc1)N/C(=N/c1cc(c2cc(c(c(c2)OC)OC)OC)n[nH]1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.4646 |
| logD: | 4.7296 |
| logSw: | -5.5788 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.561 |
| InChI Key: | OXMZMJJIKWGTQD-UHFFFAOYSA-N |