2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y508-8196 |
| Compound Name: | 2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C25 H24 N4 O4 |
| Smiles: | COc1cc(ccc1OCc1ccc(cc1)[N+]([O-])=O)c1c2CCCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 4.8524 |
| logD: | 4.8522 |
| logSw: | -5.1071 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.414 |
| InChI Key: | PPIDRCRKGWRUSJ-UHFFFAOYSA-N |