1-methyl-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1'-[3-(trifluoromethyl)phenyl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Chemical Structure Depiction of
1-methyl-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1'-[3-(trifluoromethyl)phenyl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
1-methyl-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1'-[3-(trifluoromethyl)phenyl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8017-5042 |
| Compound Name: | 1-methyl-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1'-[3-(trifluoromethyl)phenyl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 514.51 |
| Molecular Formula: | C29 H21 F3 N4 O2 |
| Smiles: | CN1C(C2(C(C#N)=C(N(C3CCCC(C2=3)=O)c2cccc(c2)C(F)(F)F)n2cccc2)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8079 |
| logD: | 4.8079 |
| logSw: | -4.6736 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.06 |
| InChI Key: | TUFNBLDJNGWVHT-MUUNZHRXSA-N |