4-[({2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethyl}amino)methylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[({2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethyl}amino)methylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-[({2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethyl}amino)methylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y600-1921 |
| Compound Name: | 4-[({2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethyl}amino)methylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 480.5 |
| Molecular Formula: | C24 H25 F N6 O4 |
| Smiles: | CC1/C(=C/NCCN2CCN(CC2)C(c2cccc(c2)F)=O)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3686 |
| logD: | 1.3242 |
| logSw: | -2.3414 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.381 |
| InChI Key: | VFEDWYDRKQFYJW-UHFFFAOYSA-N |