2-amino-1-(3-bromophenyl)-4-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-bromophenyl)-4-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-bromophenyl)-4-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-0489 |
| Compound Name: | 2-amino-1-(3-bromophenyl)-4-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 574.45 |
| Molecular Formula: | C30 H25 Br F N3 O3 |
| Smiles: | COc1ccc(cc1COc1ccc(cc1)F)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1cccc(c1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2656 |
| logD: | 5.2656 |
| logSw: | -5.1801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.235 |
| InChI Key: | IJGAMFYSILRTOO-NDEPHWFRSA-N |