2-amino-1-(3-chlorophenyl)-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-chlorophenyl)-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-chlorophenyl)-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7061 |
| Compound Name: | 2-amino-1-(3-chlorophenyl)-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 462.96 |
| Molecular Formula: | C23 H19 Cl N6 O S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2cccc(c2)[Cl])c2cc(Cn3cncn3)cs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5078 |
| logD: | 2.5078 |
| logSw: | -3.2027 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.372 |
| InChI Key: | GNHHLHPBSWAJFT-OAQYLSRUSA-N |