methyl 6-amino-5-cyano-2-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-5-cyano-2-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
methyl 6-amino-5-cyano-2-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 3629-0210 |
| Compound Name: | methyl 6-amino-5-cyano-2-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate |
| Molecular Weight: | 338.28 |
| Molecular Formula: | C16 H13 F3 N2 O3 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cccc(c1)C(F)(F)F)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5716 |
| logD: | 2.5716 |
| logSw: | -2.9555 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.866 |
| InChI Key: | OOMBYTIKGKXKFZ-CYBMUJFWSA-N |