benzyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Chemical Structure Depiction of
benzyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
benzyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8006-8630 |
| Compound Name: | benzyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate |
| Molecular Weight: | 414.38 |
| Molecular Formula: | C22 H17 F3 N2 O3 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1ccc(cc1)C(F)(F)F)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0662 |
| logD: | 4.0662 |
| logSw: | -4.5819 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.55 |
| InChI Key: | FAVPWIOAYOWVSE-LJQANCHMSA-N |