phenyl(2'H-spiro[cyclohexane-1,3'-isoquinolin]-1'(4'H)-ylidene)acetonitrile
Chemical Structure Depiction of
phenyl(2'H-spiro[cyclohexane-1,3'-isoquinolin]-1'(4'H)-ylidene)acetonitrile
phenyl(2'H-spiro[cyclohexane-1,3'-isoquinolin]-1'(4'H)-ylidene)acetonitrile
Compound characteristics
| Compound ID: | 8008-9756 |
| Compound Name: | phenyl(2'H-spiro[cyclohexane-1,3'-isoquinolin]-1'(4'H)-ylidene)acetonitrile |
| Molecular Weight: | 314.43 |
| Molecular Formula: | C22 H22 N2 |
| Smiles: | C1CCC2(CC1)Cc1ccccc1/C(=C(C#N)/c1ccccc1)N2 |
| Stereo: | ACHIRAL |
| logP: | 4.9768 |
| logD: | 4.9767 |
| logSw: | -4.839 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.1841 |
| InChI Key: | XKVARDVZZGIEBC-UHFFFAOYSA-N |