1'-(3-chloro-4-fluorophenyl)-2,5'-dioxo-1-(prop-2-yn-1-yl)-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Chemical Structure Depiction of
1'-(3-chloro-4-fluorophenyl)-2,5'-dioxo-1-(prop-2-yn-1-yl)-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
1'-(3-chloro-4-fluorophenyl)-2,5'-dioxo-1-(prop-2-yn-1-yl)-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8017-8656 |
| Compound Name: | 1'-(3-chloro-4-fluorophenyl)-2,5'-dioxo-1-(prop-2-yn-1-yl)-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 522.97 |
| Molecular Formula: | C30 H20 Cl F N4 O2 |
| Smiles: | C#CCN1C(C2(C(C#N)=C(N(C3CCCC(C2=3)=O)c2ccc(c(c2)[Cl])F)n2cccc2)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.24 |
| logD: | 5.24 |
| logSw: | -5.6062 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.272 |
| InChI Key: | SGFRDTOPNAIMOI-SSEXGKCCSA-N |