2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7940 |
| Compound Name: | 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C22 H19 N5 O5 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2cccc(c2)[N+]([O-])=O)c2ccc([N+]([O-])=O)s2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5469 |
| logD: | 3.5469 |
| logSw: | -3.8665 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.51 |
| InChI Key: | DJSQPOPHERIPPE-IBGZPJMESA-N |