3-chloro-4-fluoro-N-{[2-(2-methylphenyl)-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-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
3-chloro-4-fluoro-N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
Compound characteristics
| Compound ID: | F527-0170 |
| Compound Name: | 3-chloro-4-fluoro-N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide |
| Molecular Weight: | 428.87 |
| Molecular Formula: | C20 H14 Cl F N4 O2 S |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(CNC(c3ccc(c(c3)[Cl])F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5733 |
| logD: | 3.5712 |
| logSw: | -4.1028 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.684 |
| InChI Key: | QYOQTOZFOPAXPD-UHFFFAOYSA-N |