2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K216-2851 |
| Compound Name: | 2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 614.64 |
| Molecular Formula: | C30 H29 F3 N4 O5 S |
| Smiles: | CCOc1cc(ccc1OC)c1c(c2ccc(c(c2)OCC)OC)nnc(n1)SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8613 |
| logD: | 4.8613 |
| logSw: | -4.5284 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.518 |
| InChI Key: | CROIPAZMHXDSFJ-UHFFFAOYSA-N |