2-amino-4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4093 |
| Compound Name: | 2-amino-4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 338.29 |
| Molecular Formula: | C15 H13 F3 N4 O2 |
| Smiles: | Cn1cc(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)c(C(F)(F)F)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8993 |
| logD: | 0.8993 |
| logSw: | -0.8152 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.958 |
| InChI Key: | GVFJTSLOBATLIG-NSHDSACASA-N |