2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(2-fluoro-4-methoxyphenyl)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-(2-fluoro-4-methoxyphenyl)ethan-1-one
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(2-fluoro-4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8015-2821 |
| Compound Name: | 2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(2-fluoro-4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C17 H20 F N7 O2 S |
| Smiles: | CCNc1nc(NCC)n2c(nnc2n1)SCC(c1ccc(cc1F)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0977 |
| logD: | 3.0898 |
| logSw: | -3.4557 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.8 |
| InChI Key: | BHKNBARFWMORBQ-UHFFFAOYSA-N |