(4-{cyano[4-(pyrrolidin-1-yl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)propanedinitrile
Chemical Structure Depiction of
(4-{cyano[4-(pyrrolidin-1-yl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)propanedinitrile
(4-{cyano[4-(pyrrolidin-1-yl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)propanedinitrile
Compound characteristics
| Compound ID: | 0093-0022 |
| Compound Name: | (4-{cyano[4-(pyrrolidin-1-yl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)propanedinitrile |
| Molecular Weight: | 324.38 |
| Molecular Formula: | C21 H16 N4 |
| Smiles: | C1CCN(C1)c1ccc(cc1)C(C#N)=C1C=CC(C=C1)=C(C#N)C#N |
| Stereo: | ACHIRAL |
| logP: | 3.6806 |
| logD: | 3.6806 |
| logSw: | -3.9963 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 55.146 |
| InChI Key: | JZMRAFRNNHKNQV-UHFFFAOYSA-N |