methyl 6-amino-5-cyano-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-5-cyano-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-5-cyano-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | Y500-1135 |
| Compound Name: | methyl 6-amino-5-cyano-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 412.36 |
| Molecular Formula: | C19 H19 F3 N2 O5 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1ccc(c(COCC(F)(F)F)c1)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4332 |
| logD: | 2.4332 |
| logSw: | -2.8771 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.931 |
| InChI Key: | CAKRTJAZNYAGLH-MRXNPFEDSA-N |