2-amino-1-(4-bromophenyl)-4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-bromophenyl)-4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-bromophenyl)-4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-2993 |
| Compound Name: | 2-amino-1-(4-bromophenyl)-4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 590.9 |
| Molecular Formula: | C30 H25 Br Cl N3 O3 |
| Smiles: | COc1ccc(cc1COc1ccccc1[Cl])C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6714 |
| logD: | 5.6714 |
| logSw: | -5.9917 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.321 |
| InChI Key: | QULDRXLYLWZBTM-NDEPHWFRSA-N |