ethyl 6-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
ethyl 6-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | Y501-2163 |
| Compound Name: | ethyl 6-amino-4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 497.39 |
| Molecular Formula: | C25 H25 Br N2 O4 |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1C)c1cc(COc2ccc(cc2)[Br])c(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4562 |
| logD: | 5.4562 |
| logSw: | -5.4084 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.674 |
| InChI Key: | KRDPFWJDDISJOK-HSZRJFAPSA-N |