4-fluoro-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
Chemical Structure Depiction of
4-fluoro-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
4-fluoro-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | G072-1161 |
| Compound Name: | 4-fluoro-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C23 H21 F N4 O2 S2 |
| Smiles: | CC(C)CC1=NN2C(=NC(CSc3ccccc3NC(c3ccc(cc3)F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.7584 |
| logD: | 4.756 |
| logSw: | -4.4598 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.568 |
| InChI Key: | UVJVITBJCBQWEW-UHFFFAOYSA-N |