2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | K216-2551 |
| Compound Name: | 2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide |
| Molecular Weight: | 553.04 |
| Molecular Formula: | C27 H25 Cl N4 O5 S |
| Smiles: | COc1ccc(cc1OC)c1c(c2ccc(c(c2)OC)OC)nnc(n1)SCC(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1052 |
| logD: | 4.1051 |
| logSw: | -4.3787 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.358 |
| InChI Key: | ZOMCNJRYDJVFER-UHFFFAOYSA-N |