2-amino-4-(5-nitrothiophen-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-nitrothiophen-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(5-nitrothiophen-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-4061 |
| Compound Name: | 2-amino-4-(5-nitrothiophen-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 505.43 |
| Molecular Formula: | C21 H14 F3 N5 O5 S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2[N+]([O-])=O)C(F)(F)F)c2ccc([N+]([O-])=O)s2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7223 |
| logD: | 3.7223 |
| logSw: | -4.5263 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.908 |
| InChI Key: | MBRXXOUKXIKLMP-SFHVURJKSA-N |