2-{[5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{[5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
2-{[5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | K216-2384 |
| Compound Name: | 2-{[5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide |
| Molecular Weight: | 613.09 |
| Molecular Formula: | C29 H29 Cl N4 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1c(c2cc(c(c(c2)OC)OC)OC)nnc(n1)SCC(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8752 |
| logD: | 4.875 |
| logSw: | -4.88 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.49 |
| InChI Key: | QCOHANISBQPZAZ-UHFFFAOYSA-N |