5-acetyl-2-amino-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-2-amino-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carbonitrile
5-acetyl-2-amino-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-5692 |
| Compound Name: | 5-acetyl-2-amino-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carbonitrile |
| Molecular Weight: | 322.28 |
| Molecular Formula: | C16 H13 F3 N2 O2 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1ccccc1C(F)(F)F)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5308 |
| logD: | 2.5308 |
| logSw: | -2.8664 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.519 |
| InChI Key: | RAROHBYIQHQRIX-CQSZACIVSA-N |