methyl 2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
methyl 2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Compound characteristics
| Compound ID: | 8012-4252 |
| Compound Name: | methyl 2-({[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate |
| Molecular Weight: | 381.41 |
| Molecular Formula: | C21 H20 F N3 O3 |
| Smiles: | CCCC1/C(=C/Nc2ccccc2C(=O)OC)C(N(c2ccc(cc2)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0363 |
| logD: | 3.9616 |
| logSw: | -4.2646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.394 |
| InChI Key: | JTGSUXKEJBVPKB-UHFFFAOYSA-N |