2-amino-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-oxo-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-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-0136 |
| Compound Name: | 2-amino-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 350.35 |
| Molecular Formula: | C19 H15 F N4 O2 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2c[nH]nc2c2ccc(cc2)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0274 |
| logD: | 2.0274 |
| logSw: | -2.754 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.792 |
| InChI Key: | FMARNIFSRQDVHV-INIZCTEOSA-N |