2-(3-chlorophenyl)-5-methyl-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-5-methyl-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
2-(3-chlorophenyl)-5-methyl-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2367-1330 |
| Compound Name: | 2-(3-chlorophenyl)-5-methyl-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 407.81 |
| Molecular Formula: | C21 H14 Cl N3 O4 |
| Smiles: | CC1/C(=C\c2ccc(c3ccccc3[N+]([O-])=O)o2)C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9107 |
| logD: | 4.9107 |
| logSw: | -4.9308 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.237 |
| InChI Key: | ZMKDOSCDTFXBMX-UHFFFAOYSA-N |