(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-trimethoxybenzoate
(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | G265-0168 |
| Compound Name: | (2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C18 H19 N3 O6 S |
| Smiles: | CCC1=NN2C(=NC(COC(c3cc(c(c(c3)OC)OC)OC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.3319 |
| logD: | 2.3254 |
| logSw: | -2.5319 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.281 |
| InChI Key: | NXMDSLHVSWWTCG-UHFFFAOYSA-N |