2-amino-4-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4105 |
| Compound Name: | 2-amino-4-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 352.31 |
| Molecular Formula: | C16 H15 F3 N4 O2 |
| Smiles: | CCn1c(cc(C(F)(F)F)n1)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5007 |
| logD: | 1.5007 |
| logSw: | -1.7596 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.557 |
| InChI Key: | IWDMUWDXFGXQQD-ZDUSSCGKSA-N |