ethyl [4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-2-yl]methanimidate
Chemical Structure Depiction of
ethyl [4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-2-yl]methanimidate
ethyl [4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-2-yl]methanimidate
Compound characteristics
| Compound ID: | 8006-2537 |
| Compound Name: | ethyl [4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-2-yl]methanimidate |
| Molecular Weight: | 384.86 |
| Molecular Formula: | C21 H21 Cl N2 O3 |
| Smiles: | CCO/C=N/C1=C(C#N)C(C2=C(CC(C)(C)CC2=O)O1)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6031 |
| logD: | 3.6027 |
| logSw: | -4.536 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.4 |
| InChI Key: | RJQMAEBGKFTHQM-GOSISDBHSA-N |