N-benzyl-2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide
N-benzyl-2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K216-2553 |
| Compound Name: | N-benzyl-2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 532.62 |
| Molecular Formula: | C28 H28 N4 O5 S |
| Smiles: | COc1ccc(cc1OC)c1c(c2ccc(c(c2)OC)OC)nnc(n1)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7358 |
| logD: | 3.7358 |
| logSw: | -4.0226 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.378 |
| InChI Key: | BCOBFKGAMHYZRM-UHFFFAOYSA-N |