2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-methylbutyl)acetamide
Chemical Structure Depiction of
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-methylbutyl)acetamide
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-methylbutyl)acetamide
Compound characteristics
| Compound ID: | K216-2566 |
| Compound Name: | 2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-methylbutyl)acetamide |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C26 H32 N4 O5 S |
| Smiles: | CC(C)CCNC(CSc1nc(c2ccc(c(c2)OC)OC)c(c2ccc(c(c2)OC)OC)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6034 |
| logD: | 3.6034 |
| logSw: | -3.8311 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.491 |
| InChI Key: | VTJXYQAZEKIMCI-UHFFFAOYSA-N |