3,4,5-triethoxy-N-[(5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Chemical Structure Depiction of
3,4,5-triethoxy-N-[(5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
3,4,5-triethoxy-N-[(5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K400-06172 |
| Compound Name: | 3,4,5-triethoxy-N-[(5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide |
| Molecular Weight: | 593.68 |
| Molecular Formula: | C30 H32 F N5 O5 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(NCc1nnc(n1c1ccccc1)SCC(Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.992 |
| logD: | 3.9919 |
| logSw: | -4.0284 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.543 |
| InChI Key: | KCCXNMJIJHBRQO-UHFFFAOYSA-N |