4-bromo-N-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
Chemical Structure Depiction of
4-bromo-N-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
4-bromo-N-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
Compound characteristics
| Compound ID: | F527-0329 |
| Compound Name: | 4-bromo-N-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide |
| Molecular Weight: | 455.33 |
| Molecular Formula: | C20 H15 Br N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1=NN2C(=NC(CNC(c3ccc(cc3)[Br])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.0573 |
| logD: | 4.0533 |
| logSw: | -4.1366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.684 |
| InChI Key: | SGVDCJHZLUSEBC-UHFFFAOYSA-N |