2-amino-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8011-9127 |
| Compound Name: | 2-amino-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C25 H19 F N4 O2 |
| Smiles: | C1C(CC(C2C(C(C#N)=C(N)OC1=2)c1c[nH]nc1c1ccc(cc1)F)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8286 |
| logD: | 3.8286 |
| logSw: | -4.3598 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.521 |
| InChI Key: | MTXLHOVGCJYXCO-UHFFFAOYSA-N |