2-amino-4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6698 |
| Compound Name: | 2-amino-4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 503.47 |
| Molecular Formula: | C26 H22 F5 N3 O2 |
| Smiles: | COc1ccc(cc1COc1c(c(c(c(c1F)F)F)F)F)c1c2CCCCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 6.5247 |
| logD: | 6.5246 |
| logSw: | -5.8237 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.119 |
| InChI Key: | ZLBYHYPUEUMDLS-UHFFFAOYSA-N |