2-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6736 |
| Compound Name: | 2-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C27 H29 N3 O2 |
| Smiles: | Cc1ccc(COc2ccc(cc2OC)c2c3CCCCCCc3nc(c2C#N)N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8461 |
| logD: | 5.8459 |
| logSw: | -5.5995 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.033 |
| InChI Key: | MHGKBTNHGIWNDF-UHFFFAOYSA-N |