2-amino-4-(4-hydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-hydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-hydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 1852-0076 |
| Compound Name: | 2-amino-4-(4-hydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 282.3 |
| Molecular Formula: | C16 H14 N2 O3 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1417 |
| logD: | 1.1415 |
| logSw: | -1.8677 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.219 |
| InChI Key: | YHLGHERMPLXOQN-CQSZACIVSA-N |