2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(2,3-dichlorophenyl)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-(2,3-dichlorophenyl)acetamide
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(2,3-dichlorophenyl)acetamide
Compound characteristics
| Compound ID: | 8012-9623 |
| Compound Name: | 2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(2,3-dichlorophenyl)acetamide |
| Molecular Weight: | 441.34 |
| Molecular Formula: | C16 H18 Cl2 N8 O S |
| Smiles: | CCNc1nc(NCC)n2c(nnc2n1)SCC(Nc1cccc(c1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4402 |
| logD: | 3.4229 |
| logSw: | -3.9582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.461 |
| InChI Key: | IGDMYIHKQISKKF-UHFFFAOYSA-N |