methyl 6-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 6049-0114 |
| Compound Name: | methyl 6-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 456.9 |
| Molecular Formula: | C24 H22 Cl F N2 O4 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cc(COc2ccc(cc2[Cl])F)c(C)cc1C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6806 |
| logD: | 4.6806 |
| logSw: | -4.8215 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.181 |
| InChI Key: | LFNMBDADGQBTGJ-JOCHJYFZSA-N |