7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-2173 |
| Compound Name: | 7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | Cc1ccc(cc1N1C2CC(C)(C)CC(C=2C(C(C#N)=C1n1cccc1)c1ccsc1)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6526 |
| logD: | 5.6526 |
| logSw: | -5.4407 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.653 |
| InChI Key: | HGBVZLMYZSCYSR-XMMPIXPASA-N |