2-amino-4-[1-(2,2-difluoroethyl)-3-methyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[1-(2,2-difluoroethyl)-3-methyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[1-(2,2-difluoroethyl)-3-methyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4069 |
| Compound Name: | 2-amino-4-[1-(2,2-difluoroethyl)-3-methyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 362.38 |
| Molecular Formula: | C18 H20 F2 N4 O2 |
| Smiles: | Cc1c(cn(CC(F)F)n1)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.222 |
| logD: | 1.222 |
| logSw: | -1.4205 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.732 |
| InChI Key: | ALOVFOQYWPVUEZ-HNNXBMFYSA-N |