2-amino-4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-amino-4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-7524 |
| Compound Name: | 2-amino-4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C26 H27 N3 O3 |
| Smiles: | COc1ccc(cc1)OCc1ccc(cc1OC)c1c2CCCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 5.2745 |
| logD: | 5.2743 |
| logSw: | -5.3069 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.49 |
| InChI Key: | KYBXVAZYMIEPBT-UHFFFAOYSA-N |