2-amino-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-1-(2-methyl-5-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-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0335 |
| Compound Name: | 2-amino-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | Cc1ccc(cc1N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1cc(C)sc1C)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1172 |
| logD: | 5.1172 |
| logSw: | -5.1101 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.476 |
| InChI Key: | SCSMOFICDKFUGE-JOCHJYFZSA-N |