2-chloro-8a-methoxy-4a-methyl-4a,5,6,7,8,8a-hexahydroquinoline-3,4,4(1H)-tricarbonitrile
Chemical Structure Depiction of
2-chloro-8a-methoxy-4a-methyl-4a,5,6,7,8,8a-hexahydroquinoline-3,4,4(1H)-tricarbonitrile
2-chloro-8a-methoxy-4a-methyl-4a,5,6,7,8,8a-hexahydroquinoline-3,4,4(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8019-9627 |
| Compound Name: | 2-chloro-8a-methoxy-4a-methyl-4a,5,6,7,8,8a-hexahydroquinoline-3,4,4(1H)-tricarbonitrile |
| Molecular Weight: | 290.75 |
| Molecular Formula: | C14 H15 Cl N4 O |
| Smiles: | CC12CCCCC2(NC(=C(C#N)C1(C#N)C#N)[Cl])OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.185 |
| logD: | 2.185 |
| logSw: | -2.9872 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.065 |
| InChI Key: | CDRJQCYJRGLIRI-UHFFFAOYSA-N |