2-amino-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-0389 |
| Compound Name: | 2-amino-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 298.34 |
| Molecular Formula: | C17 H18 N2 O3 |
| Smiles: | Cc1ccc(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.173 |
| logD: | 2.173 |
| logSw: | -2.5048 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.695 |
| InChI Key: | PCQNNGXTXMGJNU-AWEZNQCLSA-N |