7-(4-chlorophenyl)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
7-(4-chlorophenyl)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
7-(4-chlorophenyl)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 5991-0053 |
| Compound Name: | 7-(4-chlorophenyl)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 448.95 |
| Molecular Formula: | C26 H25 Cl N2 O3 |
| Smiles: | CCOc1ccc(cc1OC)C1C(C#N)=C(C)NC2CC(CC(C1=2)=O)c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0311 |
| logD: | 1.9372 |
| logSw: | -5.3298 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.547 |
| InChI Key: | JWNJZGYKYFQTBK-UHFFFAOYSA-N |