2-(3-chlorophenyl)-4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3-chlorophenyl)-4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8009-9250 |
| Compound Name: | 2-(3-chlorophenyl)-4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 435.87 |
| Molecular Formula: | C23 H18 Cl N3 O4 |
| Smiles: | CC1/C(=C\c2ccc(c3cc(C)c(C)cc3[N+]([O-])=O)o2)C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0323 |
| logD: | 6.0323 |
| logSw: | -6.0496 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.237 |
| InChI Key: | JLVJPTTYWLYEMW-UHFFFAOYSA-N |