2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-6068 |
| Compound Name: | 2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 522.58 |
| Molecular Formula: | C28 H22 N6 O3 S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2cccc(c2)[N+]([O-])=O)c2cc(Cn3cnc4ccccc34)cs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5311 |
| logD: | 3.5279 |
| logSw: | -4.0506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.962 |
| InChI Key: | IOPJLZWHNLMTNE-SANMLTNESA-N |