2-amino-1-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-7800 |
| Compound Name: | 2-amino-1-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C26 H26 F N3 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2OC)OC)c2ccc(cc2)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.806 |
| logD: | 3.806 |
| logSw: | -4.4143 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.25 |
| InChI Key: | UNHLTOUVOCVXGK-HSZRJFAPSA-N |