(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-triethoxybenzoate
Chemical Structure Depiction of
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-triethoxybenzoate
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-triethoxybenzoate
Compound characteristics
| Compound ID: | G265-0367 |
| Compound Name: | (2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4,5-triethoxybenzoate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C22 H25 N3 O6 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(=O)OCC1=CC(N2C(=N1)SC(C1CC1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.54 |
| logD: | 3.533 |
| logSw: | -3.7068 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.369 |
| InChI Key: | VFVBRXWKKXZBIG-UHFFFAOYSA-N |