ethyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
ethyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0235 |
| Compound Name: | ethyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 499.36 |
| Molecular Formula: | C24 H23 Br N2 O5 |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1C)c1ccc(c(COc2cccc(c2)[Br])c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2619 |
| logD: | 4.2619 |
| logSw: | -4.6201 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.304 |
| InChI Key: | BNIQEJSPICHOBC-JOCHJYFZSA-N |