2-amino-4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-amino-4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6800 |
| Compound Name: | 2-amino-4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 502.45 |
| Molecular Formula: | C28 H25 Cl2 N5 |
| Smiles: | C1CCCc2c(CC1)c(c1cn(Cc3ccc(cc3[Cl])[Cl])nc1c1ccccc1)c(C#N)c(N)n2 |
| Stereo: | ACHIRAL |
| logP: | 7.0368 |
| logD: | 7.0368 |
| logSw: | -6.9926 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.869 |
| InChI Key: | SILNUZXUQBRURB-UHFFFAOYSA-N |