2-amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-0198 |
| Compound Name: | 2-amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 499.93 |
| Molecular Formula: | C22 H18 Cl N5 O5 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2[Cl])[N+]([O-])=O)c2ccc([N+]([O-])=O)s2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.204 |
| logD: | 4.204 |
| logSw: | -4.5559 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.209 |
| InChI Key: | VEVJBXZKCUJJHA-LJQANCHMSA-N |