4,4'-[[1,1'-biphenyl]-4,4'-diylbis(azanediylmethanylylidene)]bis[5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]
Chemical Structure Depiction of
4,4'-[[1,1'-biphenyl]-4,4'-diylbis(azanediylmethanylylidene)]bis[5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]
4,4'-[[1,1'-biphenyl]-4,4'-diylbis(azanediylmethanylylidene)]bis[5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]
Compound characteristics
| Compound ID: | 8004-3346 |
| Compound Name: | 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(azanediylmethanylylidene)]bis[5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one] |
| Molecular Weight: | 580.69 |
| Molecular Formula: | C36 H32 N6 O2 |
| Smiles: | CC1\C(=C/Nc2ccc(cc2)c2ccc(cc2)N/C=C2\C(C)=NN(C2=O)c2ccccc2C)C(N(c2ccccc2C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0025 |
| logD: | 7.002 |
| logSw: | -5.9026 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.264 |
| InChI Key: | XKHXGOWITUUKAF-UHFFFAOYSA-N |