2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-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]-5-methylthiophen-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]-5-methylthiophen-2-yl}-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7747 |
| Compound Name: | 2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 536.61 |
| Molecular Formula: | C29 H24 N6 O3 S |
| Smiles: | Cc1c(Cn2cnc3ccccc23)cc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2cccc(c2)[N+]([O-])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1311 |
| logD: | 4.1137 |
| logSw: | -4.5009 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.962 |
| InChI Key: | CRPJXFGUDXCTLE-MHZLTWQESA-N |