4-(3-fluorophenyl)-7,7-dimethyl-1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(3-fluorophenyl)-7,7-dimethyl-1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(3-fluorophenyl)-7,7-dimethyl-1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-1455 |
| Compound Name: | 4-(3-fluorophenyl)-7,7-dimethyl-1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C29 H25 F N4 O3 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)N1C2CC(C)(C)CC(C=2C(C(C#N)=C1n1cccc1)c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6726 |
| logD: | 5.6726 |
| logSw: | -5.4453 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.333 |
| InChI Key: | SSKMSVJSYGYVKD-AREMUKBSSA-N |