3,4,5-triethoxy-N-{[4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
3,4,5-triethoxy-N-{[4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
3,4,5-triethoxy-N-{[4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 3330-2842 |
| Compound Name: | 3,4,5-triethoxy-N-{[4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C22 H25 F N4 O4 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(NCC1=NNC(N1c1ccc(cc1)F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3835 |
| logD: | 2.5328 |
| logSw: | -3.7595 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.231 |
| InChI Key: | XJAVKAFUCSTTMV-UHFFFAOYSA-N |