methyl 6-amino-4-{5-[(2-bromophenoxy)methyl]furan-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-{5-[(2-bromophenoxy)methyl]furan-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-4-{5-[(2-bromophenoxy)methyl]furan-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | Y500-8256 |
| Compound Name: | methyl 6-amino-4-{5-[(2-bromophenoxy)methyl]furan-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 445.27 |
| Molecular Formula: | C20 H17 Br N2 O5 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1ccc(COc2ccccc2[Br])o1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3874 |
| logD: | 3.3874 |
| logSw: | -3.8311 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.022 |
| InChI Key: | NAUBUPYAYCKWKV-SFHVURJKSA-N |