2-amino-7,7-dimethyl-5-oxo-4-(1-phenylethyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-5-oxo-4-(1-phenylethyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-5-oxo-4-(1-phenylethyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 4296-0241 |
| Compound Name: | 2-amino-7,7-dimethyl-5-oxo-4-(1-phenylethyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 322.41 |
| Molecular Formula: | C20 H22 N2 O2 |
| Smiles: | CC(C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8568 |
| logD: | 2.8568 |
| logSw: | -3.3548 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.602 |
| InChI Key: | IVLHCENRXRAXEK-UHFFFAOYSA-N |