4,4'-[(2-nitro-1,4-phenylene)bis(azanediylmethanylylidene)]bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)
Chemical Structure Depiction of
4,4'-[(2-nitro-1,4-phenylene)bis(azanediylmethanylylidene)]bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)
4,4'-[(2-nitro-1,4-phenylene)bis(azanediylmethanylylidene)]bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)
Compound characteristics
| Compound ID: | 8003-4216 |
| Compound Name: | 4,4'-[(2-nitro-1,4-phenylene)bis(azanediylmethanylylidene)]bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one) |
| Molecular Weight: | 521.54 |
| Molecular Formula: | C28 H23 N7 O4 |
| Smiles: | CC1/C(=C/Nc2ccc(c(c2)[N+]([O-])=O)N/C=C2/C(C)=NN(C2=O)c2ccccc2)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1229 |
| logD: | 4.0356 |
| logSw: | -4.3455 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.52 |
| InChI Key: | KSEGFFDUTODYKR-UHFFFAOYSA-N |