2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-9031 |
| Compound Name: | 2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C25 H23 Cl F N3 O2 |
| Smiles: | COc1ccc(cc1COc1ccc(c(c1)[Cl])F)c1c2CCCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 5.7945 |
| logD: | 5.7943 |
| logSw: | -6.1935 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.946 |
| InChI Key: | RAJZDAVZYYBWFF-UHFFFAOYSA-N |