2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 1852-0330 |
| Compound Name: | 2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 298.3 |
| Molecular Formula: | C16 H14 N2 O4 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(c2)O)O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7072 |
| logD: | 0.6862 |
| logSw: | -1.7037 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.698 |
| InChI Key: | DTLIZDFEZQPPPW-CQSZACIVSA-N |