4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-5377 |
| Compound Name: | 4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 381.41 |
| Molecular Formula: | C21 H20 F N3 O3 |
| Smiles: | CCCC1\C(=C/NCc2ccc3c(c2)OCO3)C(N(c2ccc(cc2)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.173 |
| logD: | 3.1603 |
| logSw: | -3.284 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.565 |
| InChI Key: | IFLAAGVWVFBVQM-UHFFFAOYSA-N |