5-methyl-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
5-methyl-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
Compound ID: | C508-0077 |
Compound Name: | 5-methyl-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
Molecular Weight: | 387.39 |
Molecular Formula: | C22 H17 N3 O4 |
Smiles: | CC1/C(=C\c2ccc(c3cc(ccc3C)[N+]([O-])=O)o2)C(N(c2ccccc2)N=1)=O |
Stereo: | ACHIRAL |
logP: | 4.891 |
logD: | 4.891 |
logSw: | -4.7265 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 66.538 |
InChI Key: | XSCFFLYOZHVJQI-UHFFFAOYSA-N |