3-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6756 |
| Compound Name: | 3-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 537.44 |
| Molecular Formula: | C24 H21 Br N6 O2 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(N1C(CC(c2ccc(cc2)[Br])=N1)c1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5868 |
| logD: | 4.5706 |
| logSw: | -4.3667 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.317 |
| InChI Key: | XVZBHWBUWIFGQR-HXUWFJFHSA-N |