2-{[5,6-bis(4-ethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5,6-bis(4-ethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
2-{[5,6-bis(4-ethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K784-7864 |
| Compound Name: | 2-{[5,6-bis(4-ethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 535.06 |
| Molecular Formula: | C28 H27 Cl N4 O3 S |
| Smiles: | CCOc1ccc(cc1)c1c(c2ccc(cc2)OCC)nnc(n1)SCC(Nc1cccc(c1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1783 |
| logD: | 6.1781 |
| logSw: | -6.1336 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.084 |
| InChI Key: | KRUAUIYVXOSAAW-UHFFFAOYSA-N |