2-amino-4-{1-[(4-bromophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{1-[(4-bromophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-amino-4-{1-[(4-bromophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-7526 |
| Compound Name: | 2-amino-4-{1-[(4-bromophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 484.4 |
| Molecular Formula: | C26 H22 Br N5 |
| Smiles: | C1CCc2c(C1)c(c1cn(Cc3ccc(cc3)[Br])nc1c1ccccc1)c(C#N)c(N)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.4766 |
| logD: | 5.4764 |
| logSw: | -5.8634 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.538 |
| InChI Key: | AYIQHWSKQGRSNG-UHFFFAOYSA-N |