2-amino-4-[1-(difluoromethyl)-1H-pyrazol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[1-(difluoromethyl)-1H-pyrazol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[1-(difluoromethyl)-1H-pyrazol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4094 |
| Compound Name: | 2-amino-4-[1-(difluoromethyl)-1H-pyrazol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 306.27 |
| Molecular Formula: | C14 H12 F2 N4 O2 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2ccnn2C(F)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3467 |
| logD: | 0.3467 |
| logSw: | -1.2329 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.353 |
| InChI Key: | AKQRDPFIHBUJHZ-NSHDSACASA-N |