3,4,5-triethoxy-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-triethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
3,4,5-triethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 3330-2840 |
| Compound Name: | 3,4,5-triethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C23 H28 N4 O5 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(NCC1=NNC(N1c1ccccc1OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2137 |
| logD: | 2.9709 |
| logSw: | -3.5376 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.561 |
| InChI Key: | FOTSVUOBKJYBFW-UHFFFAOYSA-N |