2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6738 |
| Compound Name: | 2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 467.49 |
| Molecular Formula: | C26 H24 F3 N3 O2 |
| Smiles: | COc1cc(ccc1OCc1cccc(c1)C(F)(F)F)c1c2CCCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 5.7335 |
| logD: | 5.7332 |
| logSw: | -5.695 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.033 |
| InChI Key: | KQILXJSFARCNMF-UHFFFAOYSA-N |