2-amino-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 4333-3912 |
| Compound Name: | 2-amino-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 312.32 |
| Molecular Formula: | C17 H16 N2 O4 |
| Smiles: | COc1cc(ccc1O)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9995 |
| logD: | 0.999 |
| logSw: | -2.1136 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.781 |
| InChI Key: | CYUCOXMWXGGJJF-OAHLLOKOSA-N |