2-amino-1-(dimethylamino)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(dimethylamino)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(dimethylamino)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4404-0356 |
| Compound Name: | 2-amino-1-(dimethylamino)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C20 H23 N5 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2N(C)C)c2cccc(c2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9312 |
| logD: | 1.9312 |
| logSw: | -2.4295 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.293 |
| InChI Key: | BPZXTPAKVCWDMA-QGZVFWFLSA-N |