3-fluoro-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-4-methylbenzamide
Chemical Structure Depiction of
3-fluoro-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-4-methylbenzamide
3-fluoro-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | F527-0596 |
| Compound Name: | 3-fluoro-N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-4-methylbenzamide |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C21 H17 F N4 O3 S |
| Smiles: | Cc1ccc(cc1F)C(NCC1=CC(N2C(=N1)SC(c1ccc(cc1)OC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4519 |
| logD: | 3.451 |
| logSw: | -3.886 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.228 |
| InChI Key: | URYXMGPMTQFGNF-UHFFFAOYSA-N |