methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]furan-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]furan-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]furan-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | Y500-8254 |
| Compound Name: | methyl 6-amino-4-{5-[(3-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(COc2cccc(c2)[Br])o1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5643 |
| logD: | 3.5643 |
| logSw: | -3.84 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.935 |
| InChI Key: | KPXIBOYIBVGSDS-SFHVURJKSA-N |