ethyl (3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-2-yl)methanimidate
Chemical Structure Depiction of
ethyl (3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-2-yl)methanimidate
ethyl (3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-2-yl)methanimidate
Compound characteristics
| Compound ID: | 8005-5914 |
| Compound Name: | ethyl (3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-2-yl)methanimidate |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C21 H22 N2 O3 |
| Smiles: | CCO/C=N/C1=C(C#N)C(C2=C(CC(C)(C)CC2=O)O1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0127 |
| logD: | 3.0123 |
| logSw: | -3.3293 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.4 |
| InChI Key: | OTXRXUZLUGWTIH-GOSISDBHSA-N |