2-amino-7,7-dimethyl-4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4287 |
| Compound Name: | 2-amino-7,7-dimethyl-4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 366.34 |
| Molecular Formula: | C17 H17 F3 N4 O2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2cc(C(F)(F)F)nn2C)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6904 |
| logD: | 1.6904 |
| logSw: | -1.8826 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.118 |
| InChI Key: | NCXZKJZJQJURBC-ZDUSSCGKSA-N |