[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3,4,5-triethoxybenzoate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3,4,5-triethoxybenzoate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3,4,5-triethoxybenzoate
Compound characteristics
| Compound ID: | G265-0243 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3,4,5-triethoxybenzoate |
| Molecular Weight: | 475.56 |
| Molecular Formula: | C23 H29 N3 O6 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(=O)OCC1=CC(N2C(=N1)SC(CC(C)C)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1365 |
| logD: | 4.134 |
| logSw: | -4.2216 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.021 |
| InChI Key: | QOEGZMQQACSAPQ-UHFFFAOYSA-N |