3-fluoro-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
Chemical Structure Depiction of
3-fluoro-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
3-fluoro-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | G072-1113 |
| Compound Name: | 3-fluoro-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 454.54 |
| Molecular Formula: | C22 H19 F N4 O2 S2 |
| Smiles: | CC(C)C1=NN2C(=NC(CSc3ccccc3NC(c3cccc(c3)F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.4606 |
| logD: | 4.4555 |
| logSw: | -4.2454 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.664 |
| InChI Key: | DGHBGXNINJXNAP-UHFFFAOYSA-N |