2-amino-4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-amino-4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-0230 |
| Compound Name: | 2-amino-4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 498.81 |
| Molecular Formula: | C24 H21 Br Cl N3 O2 |
| Smiles: | COc1ccc(cc1COc1ccc(cc1[Cl])[Br])c1c2CCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 5.8754 |
| logD: | 5.8726 |
| logSw: | -6.2366 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.702 |
| InChI Key: | OHCVFERQXRSDNT-UHFFFAOYSA-N |