(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-triethoxybenzoate
Chemical Structure Depiction of
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-triethoxybenzoate
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-triethoxybenzoate
Compound characteristics
| Compound ID: | G265-0925 |
| Compound Name: | (5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-triethoxybenzoate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C22 H27 N3 O6 S |
| Smiles: | CCCC1=NN2C(=NC(COC(c3cc(c(c(c3)OCC)OCC)OCC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8276 |
| logD: | 3.8235 |
| logSw: | -3.9444 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.021 |
| InChI Key: | ZPPYYSLBUKRIQL-UHFFFAOYSA-N |