4,4'-(heptane-1,1-diyl)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Chemical Structure Depiction of
4,4'-(heptane-1,1-diyl)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
4,4'-(heptane-1,1-diyl)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Compound characteristics
| Compound ID: | 5045-2071 |
| Compound Name: | 4,4'-(heptane-1,1-diyl)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) |
| Molecular Weight: | 472.63 |
| Molecular Formula: | C29 H36 N4 O2 |
| Smiles: | CCCCCCC(C1=C(C)N(C)N(C1=O)c1ccccc1)C1=C(C)N(C)N(C1=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6093 |
| logD: | 4.6093 |
| logSw: | -4.3368 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.331 |
| InChI Key: | IJHHLFPNBGOUAS-UHFFFAOYSA-N |