3,4,5-trimethoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
3,4,5-trimethoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 2515-5697 |
| Compound Name: | 3,4,5-trimethoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 445.45 |
| Molecular Formula: | C19 H19 N5 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCC1=NNC(N1c1ccc(cc1)[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3212 |
| logD: | 1.4706 |
| logSw: | -2.9582 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.873 |
| InChI Key: | CBUYBUGVLTUYEL-UHFFFAOYSA-N |