2-amino-4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-7525 |
| Compound Name: | 2-amino-4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C27 H29 N3 O3 |
| Smiles: | COc1ccc(cc1)OCc1ccc(cc1OC)c1c2CCCCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 5.7704 |
| logD: | 5.7703 |
| logSw: | -5.5417 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.49 |
| InChI Key: | SUNRMQDUYXRLGB-UHFFFAOYSA-N |