2-amino-7,7-dimethyl-1-(2-methyl-4-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-(2-methyl-4-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-7,7-dimethyl-1-(2-methyl-4-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-9167 |
| Compound Name: | 2-amino-7,7-dimethyl-1-(2-methyl-4-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C23 H21 N5 O5 S |
| Smiles: | Cc1cc(ccc1N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1ccc([N+]([O-])=O)s1)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3082 |
| logD: | 4.3082 |
| logSw: | -4.6632 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.209 |
| InChI Key: | BCDPXTGYUGXLSA-FQEVSTJZSA-N |