2-amino-4-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-7,7-dimethyl-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]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4285 |
| Compound Name: | 2-amino-4-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 380.37 |
| Molecular Formula: | C18 H19 F3 N4 O2 |
| Smiles: | CCn1c(cc(C(F)(F)F)n1)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1008 |
| logD: | 2.1008 |
| logSw: | -2.2779 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.557 |
| InChI Key: | POEXMONLDHKUBZ-AWEZNQCLSA-N |