3,4,5-trimethoxy-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
3,4,5-trimethoxy-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 3330-2833 |
| Compound Name: | 3,4,5-trimethoxy-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | Cc1cccc(c1)N1C(CNC(c2cc(c(c(c2)OC)OC)OC)=O)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.894 |
| logD: | 2.5594 |
| logSw: | -3.3528 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.492 |
| InChI Key: | IAOPAKQQYJOMDP-UHFFFAOYSA-N |