N-(4-bromophenyl)-2-[5-methyl-2-(2-methylphenyl)-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[5-methyl-2-(2-methylphenyl)-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetamide
N-(4-bromophenyl)-2-[5-methyl-2-(2-methylphenyl)-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetamide
Compound characteristics
| Compound ID: | D475-1442 |
| Compound Name: | N-(4-bromophenyl)-2-[5-methyl-2-(2-methylphenyl)-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetamide |
| Molecular Weight: | 452.31 |
| Molecular Formula: | C21 H18 Br N5 O2 |
| Smiles: | CC1=CC(n2c(nc(c3ccccc3C)n2)N1CC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2771 |
| logD: | 4.2769 |
| logSw: | -4.373 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.494 |
| InChI Key: | IQXHGKZMBZTTNL-UHFFFAOYSA-N |