2-amino-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-(furan-2-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]-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-0221 |
| Compound Name: | 2-amino-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 416.41 |
| Molecular Formula: | C23 H17 F N4 O3 |
| Smiles: | C1C(CC(C2C(C(C#N)=C(N)OC1=2)c1c[nH]nc1c1ccc(cc1)F)=O)c1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9425 |
| logD: | 2.9425 |
| logSw: | -3.3588 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.099 |
| InChI Key: | IKUFQUYTQASDDQ-UHFFFAOYSA-N |