4-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
4-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-5384 |
| Compound Name: | 4-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C26 H30 F N5 O2 |
| Smiles: | CCCC1\C(=C/NCCN2CCN(CC2)C(c2ccccc2)=O)C(N(c2ccc(cc2)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.233 |
| logD: | 2.1886 |
| logSw: | -2.559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.729 |
| InChI Key: | BCJVTYBJCXPGQV-UHFFFAOYSA-N |