[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-bromobenzoate
Chemical Structure Depiction of
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-bromobenzoate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-bromobenzoate
Compound characteristics
| Compound ID: | G265-0112 |
| Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-bromobenzoate |
| Molecular Weight: | 408.27 |
| Molecular Formula: | C16 H14 Br N3 O3 S |
| Smiles: | CC(C)C1=NN2C(=NC(COC(c3ccc(cc3)[Br])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1887 |
| logD: | 4.1804 |
| logSw: | -4.3376 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.4 |
| InChI Key: | VWGRGBNUJTYXRD-UHFFFAOYSA-N |