2-amino-4-{5-[(3-bromophenoxy)methyl]furan-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-[(3-bromophenoxy)methyl]furan-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{5-[(3-bromophenoxy)methyl]furan-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-8252 |
| Compound Name: | 2-amino-4-{5-[(3-bromophenoxy)methyl]furan-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 441.28 |
| Molecular Formula: | C21 H17 Br N2 O4 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2ccc(COc3cccc(c3)[Br])o2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6467 |
| logD: | 3.6467 |
| logSw: | -4.2424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.671 |
| InChI Key: | PKQBJOHCCVAJFA-IBGZPJMESA-N |