3,5-dimethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
3,5-dimethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
3,5-dimethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 3330-2800 |
| Compound Name: | 3,5-dimethoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Smiles: | COc1cc(cc(c1)OC)C(NCC1=NNC(N1c1ccccc1OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7396 |
| logD: | 2.4967 |
| logSw: | -3.3953 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.931 |
| InChI Key: | KJANIKKAWFJQQA-UHFFFAOYSA-N |