[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(4-fluorobenzamido)benzoate
Chemical Structure Depiction of
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(4-fluorobenzamido)benzoate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(4-fluorobenzamido)benzoate
Compound characteristics
| Compound ID: | G357-0252 |
| Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(4-fluorobenzamido)benzoate |
| Molecular Weight: | 466.49 |
| Molecular Formula: | C23 H19 F N4 O4 S |
| Smiles: | CC(C)C1=NN2C(=NC(COC(c3ccc(cc3)NC(c3ccc(cc3)F)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.215 |
| logD: | 4.179 |
| logSw: | -4.3286 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.491 |
| InChI Key: | TVXGOIFYDPMDPL-UHFFFAOYSA-N |