2-amino-4-{5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-{5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-9218 |
| Compound Name: | 2-amino-4-{5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 496.83 |
| Molecular Formula: | C25 H23 Br Cl N3 O |
| Smiles: | C1CCCc2c(CC1)c(c1cc(ccc1OCc1ccc(cc1)[Cl])[Br])c(C#N)c(N)n2 |
| Stereo: | ACHIRAL |
| logP: | 7.2087 |
| logD: | 7.2086 |
| logSw: | -6.9405 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.402 |
| InChI Key: | AFUQAGQXTGSMPA-UHFFFAOYSA-N |