2-amino-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-5641 |
| Compound Name: | 2-amino-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C27 H29 N3 O3 |
| Smiles: | CCOc1ccc(cc1)C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0433 |
| logD: | 4.0433 |
| logSw: | -4.3792 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.044 |
| InChI Key: | NTXYNQBTCXSDCE-XMMPIXPASA-N |