1'-(5-bromopyridin-2-yl)-1-[(2-fluorophenyl)methyl]-2,5'-dioxo-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'-(5-bromopyridin-2-yl)-1-[(2-fluorophenyl)methyl]-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
1'-(5-bromopyridin-2-yl)-1-[(2-fluorophenyl)methyl]-2,5'-dioxo-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: | 8017-6920 |
| Compound Name: | 1'-(5-bromopyridin-2-yl)-1-[(2-fluorophenyl)methyl]-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile |
| Molecular Weight: | 620.48 |
| Molecular Formula: | C33 H23 Br F N5 O2 |
| Smiles: | C1CC2=C(C(C1)=O)C1(C(C#N)=C(N2c2ccc(cn2)[Br])n2cccc2)C(N(Cc2ccccc2F)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4523 |
| logD: | 6.4523 |
| logSw: | -5.8418 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.623 |
| InChI Key: | KOMKYWIKBVPXJG-MGBGTMOVSA-N |