4,4'-[1-(5-nitrofuran-2-yl)prop-1-ene-3,3-diyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Chemical Structure Depiction of
4,4'-[1-(5-nitrofuran-2-yl)prop-1-ene-3,3-diyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
4,4'-[1-(5-nitrofuran-2-yl)prop-1-ene-3,3-diyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Compound characteristics
| Compound ID: | 8008-4421 |
| Compound Name: | 4,4'-[1-(5-nitrofuran-2-yl)prop-1-ene-3,3-diyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) |
| Molecular Weight: | 525.56 |
| Molecular Formula: | C29 H27 N5 O5 |
| Smiles: | CC1=C(C(/C=C/c2ccc([N+]([O-])=O)o2)C2=C(C)N(C)N(C2=O)c2ccccc2)C(N(c2ccccc2)N1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6422 |
| logD: | 2.6422 |
| logSw: | -2.8547 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.891 |
| InChI Key: | RYKLSNZDYMEBDT-UHFFFAOYSA-N |