3,4,5-trimethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
3,4,5-trimethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 3330-2830 |
| Compound Name: | 3,4,5-trimethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C20 H22 N4 O5 S |
| Smiles: | COc1ccccc1N1C(CNC(c2cc(c(c(c2)OC)OC)OC)=O)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.2549 |
| logD: | 2.012 |
| logSw: | -2.8738 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.821 |
| InChI Key: | QZYLUZDJXCCMCH-UHFFFAOYSA-N |