2-amino-4-heptyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-heptyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-heptyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 4088-0166 |
| Compound Name: | 2-amino-4-heptyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 288.39 |
| Molecular Formula: | C17 H24 N2 O2 |
| Smiles: | CCCCCCCC1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7723 |
| logD: | 3.7723 |
| logSw: | -4.0049 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.874 |
| InChI Key: | YKWKRAXSVNMFEQ-GFCCVEGCSA-N |