1-([1,1'-biphenyl]-4-yl)-2-({4-[(oxolan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-([1,1'-biphenyl]-4-yl)-2-({4-[(oxolan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-([1,1'-biphenyl]-4-yl)-2-({4-[(oxolan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | V007-2903 |
| Compound Name: | 1-([1,1'-biphenyl]-4-yl)-2-({4-[(oxolan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 582.73 |
| Molecular Formula: | C36 H30 N4 O2 S |
| Salt: | not_available |
| Smiles: | C1CC(Cn2c(c3cc(c4ccccc4)nc4ccccc34)nnc2SCC(c2ccc(cc2)c2ccccc2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6324 |
| logD: | 7.6314 |
| logSw: | -6.4421 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.658 |
| InChI Key: | AFYRDNUSMUXRGJ-GDLZYMKVSA-N |