2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-4183 |
| Compound Name: | 2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C16 H18 N8 O3 S |
| Smiles: | CCNc1nc(NCC)n2c(nnc2n1)SCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7516 |
| logD: | 2.7438 |
| logSw: | -3.2689 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.638 |
| InChI Key: | YNYKGDOMVCBUIC-UHFFFAOYSA-N |