2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(thiophen-2-yl)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-(thiophen-2-yl)ethan-1-one
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8015-2820 |
| Compound Name: | 2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C14 H17 N7 O S2 |
| Smiles: | CCNc1nc(NCC)n2c(nnc2n1)SCC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5732 |
| logD: | 2.5653 |
| logSw: | -2.8078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.275 |
| InChI Key: | QFQIYBIHWCBGPS-UHFFFAOYSA-N |