2-amino-1-(3-nitrophenyl)-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-nitrophenyl)-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-nitrophenyl)-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: | 8017-9298 |
| Compound Name: | 2-amino-1-(3-nitrophenyl)-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: | 473.51 |
| Molecular Formula: | C23 H19 N7 O3 S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2cccc(c2)[N+]([O-])=O)c2cc(Cn3cncn3)cs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7435 |
| logD: | 1.7435 |
| logSw: | -2.3177 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.754 |
| InChI Key: | DPGLTDZASALBHL-NRFANRHFSA-N |