4,4'-[(4-methyl-1,3-phenylene)bis(azanediylmethanylylidene)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]
Chemical Structure Depiction of
4,4'-[(4-methyl-1,3-phenylene)bis(azanediylmethanylylidene)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]
4,4'-[(4-methyl-1,3-phenylene)bis(azanediylmethanylylidene)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]
Compound characteristics
| Compound ID: | 8004-8529 |
| Compound Name: | 4,4'-[(4-methyl-1,3-phenylene)bis(azanediylmethanylylidene)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one] |
| Molecular Weight: | 518.62 |
| Molecular Formula: | C31 H30 N6 O2 |
| Smiles: | CC1\C(=C/Nc2ccc(C)c(c2)N/C=C2\C(C)=NN(C2=O)c2ccc(C)cc2)C(N(c2ccc(C)cc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4102 |
| logD: | 5.3972 |
| logSw: | -5.3408 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.439 |
| InChI Key: | FSBWOBXLNKOMKC-UHFFFAOYSA-N |