2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | K216-2889 |
| Compound Name: | 2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 625.54 |
| Molecular Formula: | C29 H29 Br N4 O5 S |
| Smiles: | CCOc1cc(ccc1OC)c1c(c2ccc(c(c2)OCC)OC)nnc(n1)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1796 |
| logD: | 5.1795 |
| logSw: | -5.0298 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.216 |
| InChI Key: | RMQBZXFFHBFJGB-UHFFFAOYSA-N |