ethyl 4-{3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
ethyl 4-{3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
Compound characteristics
Compound ID: | Y020-7214 |
Compound Name: | ethyl 4-{3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate |
Molecular Weight: | 417.44 |
Molecular Formula: | C19 H19 N3 O6 S |
Smiles: | CCc1c(nc(nc1O)SC1CC(N(C1=O)c1ccc(cc1)C(=O)OCC)=O)O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.0023 |
logD: | 1.9157 |
logSw: | -2.6103 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 101.125 |
InChI Key: | TUEOOKZAGFZVPN-ZDUSSCGKSA-N |