ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | Y020-6889 |
| Compound Name: | ethyl 4-{3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C21 H23 N3 O6 S |
| Smiles: | CCCCc1c(nc(nc1O)SC1CC(N(C1=O)c1ccc(cc1)C(=O)OCC)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9997 |
| logD: | 2.9131 |
| logSw: | -3.1285 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.125 |
| InChI Key: | FPGIEPAUANAEKH-HNNXBMFYSA-N |