methyl 6-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | Y501-2164 |
| Compound Name: | methyl 6-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 483.36 |
| Molecular Formula: | C24 H23 Br N2 O4 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cc(COc2ccc(cc2)[Br])c(C)cc1C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0156 |
| logD: | 5.0156 |
| logSw: | -4.9097 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.094 |
| InChI Key: | VCUKPBDLGCOFDV-JOCHJYFZSA-N |