1-ethyl-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1'-[4-(trifluoromethyl)phenyl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Chemical Structure Depiction of
1-ethyl-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1'-[4-(trifluoromethyl)phenyl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
1-ethyl-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1'-[4-(trifluoromethyl)phenyl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8017-6911 |
| Compound Name: | 1-ethyl-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1'-[4-(trifluoromethyl)phenyl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 528.53 |
| Molecular Formula: | C30 H23 F3 N4 O2 |
| Smiles: | CCN1C(C2(C(C#N)=C(N(C3CCCC(C2=3)=O)c2ccc(cc2)C(F)(F)F)n2cccc2)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4037 |
| logD: | 5.4037 |
| logSw: | -5.341 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.019 |
| InChI Key: | XSWIKERRXUWKGH-GDLZYMKVSA-N |