2-[(anilinooxy)carbonyl]-4-(1-dodecylquinolin-4(1H)-ylidene)but-2-enenitrile
Chemical Structure Depiction of
2-[(anilinooxy)carbonyl]-4-(1-dodecylquinolin-4(1H)-ylidene)but-2-enenitrile
2-[(anilinooxy)carbonyl]-4-(1-dodecylquinolin-4(1H)-ylidene)but-2-enenitrile
Compound characteristics
| Compound ID: | 8001-7573 |
| Compound Name: | 2-[(anilinooxy)carbonyl]-4-(1-dodecylquinolin-4(1H)-ylidene)but-2-enenitrile |
| Molecular Weight: | 497.68 |
| Molecular Formula: | C32 H39 N3 O2 |
| Smiles: | CCCCCCCCCCCCN1C=C/C(=C\C=C(/C#N)C(=O)ONc2ccccc2)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 8.2941 |
| logD: | 8.294 |
| logSw: | -5.9336 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.627 |
| InChI Key: | LJVNKJKCJVNXSE-UHFFFAOYSA-N |