2-(4-fluorophenyl)-4-({[(4-methoxyphenyl)methyl]imino}methyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-4-({[(4-methoxyphenyl)methyl]imino}methyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
2-(4-fluorophenyl)-4-({[(4-methoxyphenyl)methyl]imino}methyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-6548 |
| Compound Name: | 2-(4-fluorophenyl)-4-({[(4-methoxyphenyl)methyl]imino}methyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C21 H22 F N3 O2 |
| Smiles: | CCCC1=C(/C=N/Cc2ccc(cc2)OC)C(N(c2ccc(cc2)F)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0426 |
| logD: | 1.4363 |
| logSw: | -4.0685 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.702 |
| InChI Key: | LGGWGHPIMBJDPE-UHFFFAOYSA-N |