2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-8352 |
| Compound Name: | 2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 526.86 |
| Molecular Formula: | C26 H25 Br Cl N3 O2 |
| Smiles: | COc1ccc(cc1COc1ccc(cc1[Br])[Cl])c1c2CCCCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 6.9336 |
| logD: | 6.9334 |
| logSw: | -6.6224 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.033 |
| InChI Key: | VGEDUHJTOUUPKT-UHFFFAOYSA-N |