2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6742 |
| Compound Name: | 2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C26 H26 N4 O4 |
| Smiles: | COc1cc(ccc1OCc1ccc(cc1)[N+]([O-])=O)c1c2CCCCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 5.3483 |
| logD: | 5.3482 |
| logSw: | -5.4912 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.414 |
| InChI Key: | DPUVXBBLABWBKD-UHFFFAOYSA-N |