[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3,4,5-trimethoxybenzoate
[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | G265-0726 |
| Compound Name: | [5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C20 H17 N3 O6 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)OCC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9537 |
| logD: | 2.9537 |
| logSw: | -3.3188 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.125 |
| InChI Key: | HJLNFELEMDZPOX-UHFFFAOYSA-N |