4-({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-methoxyphenyl}methylidene)-5-hydroxy-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-methoxyphenyl}methylidene)-5-hydroxy-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-methoxyphenyl}methylidene)-5-hydroxy-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4611-0018 |
| Compound Name: | 4-({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-methoxyphenyl}methylidene)-5-hydroxy-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 440.82 |
| Molecular Formula: | C21 H14 Cl F N4 O4 |
| Smiles: | COc1cc(\C=C2/C(=NN(C2=O)c2ccccc2)O)ccc1Oc1c(cnc(n1)[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.2012 |
| logD: | 3.1385 |
| logSw: | -3.8301 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.809 |
| InChI Key: | RYCRRSDDWSXYID-UHFFFAOYSA-N |