3-chloro-4-fluoro-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
Chemical Structure Depiction of
3-chloro-4-fluoro-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
3-chloro-4-fluoro-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
Compound characteristics
| Compound ID: | F527-0595 |
| Compound Name: | 3-chloro-4-fluoro-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide |
| Molecular Weight: | 444.87 |
| Molecular Formula: | C20 H14 Cl F N4 O3 S |
| Smiles: | COc1ccc(cc1)C1=NN2C(=NC(CNC(c3ccc(c(c3)[Cl])F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.3223 |
| logD: | 3.3201 |
| logSw: | -3.8463 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.228 |
| InChI Key: | QAAATLIGOYVTIE-UHFFFAOYSA-N |