methyl 4-(2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8015-3005 |
| Compound Name: | methyl 4-(2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 430.49 |
| Molecular Formula: | C18 H22 N8 O3 S |
| Smiles: | CCNc1nc(NCC)n2c(nnc2n1)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5342 |
| logD: | 2.5262 |
| logSw: | -2.8825 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.333 |
| InChI Key: | XKCHSVXRFCDVIP-UHFFFAOYSA-N |