2-amino-4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-9035 |
| Compound Name: | 2-amino-4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C27 H29 N3 O2 |
| Smiles: | Cc1ccc(cc1)OCc1cc(ccc1OC)c1c2CCCCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 6.1239 |
| logD: | 6.1238 |
| logSw: | -5.5292 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.946 |
| InChI Key: | DJVFQKNCPSZHOP-UHFFFAOYSA-N |