N-(3-bromophenyl)-2-[7-methyl-5-(4-methylphenyl)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-[7-methyl-5-(4-methylphenyl)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(3-bromophenyl)-2-[7-methyl-5-(4-methylphenyl)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P032-0410 |
| Compound Name: | N-(3-bromophenyl)-2-[7-methyl-5-(4-methylphenyl)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 452.31 |
| Molecular Formula: | C21 H18 Br N5 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3cccc(c3)[Br])=O)C(N2C(c2ccc(C)cc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2866 |
| logD: | 4.1602 |
| logSw: | -4.3074 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.873 |
| InChI Key: | AYAPXKDNWYQNTR-UHFFFAOYSA-N |