2-{[5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
2-{[5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K216-2381 |
| Compound Name: | 2-{[5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 681.09 |
| Molecular Formula: | C30 H28 Cl F3 N4 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1c(c2cc(c(c(c2)OC)OC)OC)nnc(n1)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3466 |
| logD: | 5.3139 |
| logSw: | -6.0296 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.792 |
| InChI Key: | LDNKHNRROULUQF-UHFFFAOYSA-N |