2-amino-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0497 |
| Compound Name: | 2-amino-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | Cc1cc(C2C(C#N)=C(N)N(C3CC(C)(C)CC(C2=3)=O)c2ccc(cc2)[N+]([O-])=O)c(C)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4715 |
| logD: | 4.4715 |
| logSw: | -4.6194 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.777 |
| InChI Key: | YSABUMZRBVCFTK-OAQYLSRUSA-N |