[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(4-fluorobenzamido)benzoate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(4-fluorobenzamido)benzoate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(4-fluorobenzamido)benzoate
Compound characteristics
| Compound ID: | G357-0750 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(4-fluorobenzamido)benzoate |
| Molecular Weight: | 480.52 |
| Molecular Formula: | C24 H21 F N4 O4 S |
| Smiles: | CC(C)CC1=NN2C(=NC(COC(c3ccc(cc3)NC(c3ccc(cc3)F)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.6065 |
| logD: | 4.5763 |
| logSw: | -4.4333 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.395 |
| InChI Key: | IBQTZPMYTNSZMV-UHFFFAOYSA-N |