2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)acetamide
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8012-9622 |
| Compound Name: | 2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)acetamide |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C18 H23 N9 O4 S |
| Smiles: | CCNc1nc(NCC)n2c(nnc2n1)SCC(Nc1ccc(cc1[N+]([O-])=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9754 |
| logD: | 2.9436 |
| logSw: | -3.5871 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 127.665 |
| InChI Key: | FDWPJFXKEJZDPT-UHFFFAOYSA-N |