methyl ({1-[4-(ethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({1-[4-(ethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({1-[4-(ethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
Compound ID: | D385-0137 |
Compound Name: | methyl ({1-[4-(ethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
Molecular Weight: | 380.43 |
Molecular Formula: | C14 H20 N8 O3 S |
Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SCC(=O)OC)N1CCOCC1 |
Stereo: | ACHIRAL |
logP: | 1.9438 |
logD: | 1.9435 |
logSw: | -2.3601 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 93.826 |
InChI Key: | DWDIYEHGJZSGDA-UHFFFAOYSA-N |