2-amino-4-heptyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-heptyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-heptyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
Compound ID: | 5121-0364 |
Compound Name: | 2-amino-4-heptyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
Molecular Weight: | 316.44 |
Molecular Formula: | C19 H28 N2 O2 |
Smiles: | CCCCCCCC1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3724 |
logD: | 4.3724 |
logSw: | -4.4757 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 59.874 |
InChI Key: | UUJGSGWMSHMGSI-CYBMUJFWSA-N |