4,4'-(1,4-phenylenedicarbonyl)bis(5-methyl-2-pentyl-2,4-dihydro-3H-pyrazol-3-one)
Chemical Structure Depiction of
4,4'-(1,4-phenylenedicarbonyl)bis(5-methyl-2-pentyl-2,4-dihydro-3H-pyrazol-3-one)
4,4'-(1,4-phenylenedicarbonyl)bis(5-methyl-2-pentyl-2,4-dihydro-3H-pyrazol-3-one)
Compound characteristics
| Compound ID: | 8012-8496 |
| Compound Name: | 4,4'-(1,4-phenylenedicarbonyl)bis(5-methyl-2-pentyl-2,4-dihydro-3H-pyrazol-3-one) |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C26 H34 N4 O4 |
| Smiles: | CCCCCN1C(C(C(C)=N1)C(c1ccc(cc1)C(C1C(C)=NN(CCCCC)C1=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3761 |
| logD: | 2.2302 |
| logSw: | -4.1015 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.751 |
| InChI Key: | CNQMTXVWJLZNIF-UHFFFAOYSA-N |