2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N,N-diphenylacetamide
Chemical Structure Depiction of
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N,N-diphenylacetamide
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N,N-diphenylacetamide
Compound characteristics
| Compound ID: | 8013-2353 |
| Compound Name: | 2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N,N-diphenylacetamide |
| Molecular Weight: | 448.55 |
| Molecular Formula: | C22 H24 N8 O S |
| Smiles: | CCNc1nc(NCC)n2c(nnc2n1)SCC(N(c1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4036 |
| logD: | 3.3958 |
| logSw: | -3.6847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.624 |
| InChI Key: | CKQQJBYEGWXDJG-UHFFFAOYSA-N |