2-amino-1-(4-bromo-2-fluorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-bromo-2-fluorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-bromo-2-fluorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-8359 |
| Compound Name: | 2-amino-1-(4-bromo-2-fluorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 484.32 |
| Molecular Formula: | C23 H19 Br F N3 O3 |
| Smiles: | COc1ccc(cc1O)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccc(cc1F)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2861 |
| logD: | 3.2661 |
| logSw: | -3.3757 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.254 |
| InChI Key: | DFOIXYTXEXPFMC-NRFANRHFSA-N |