1'-(2-methyl-5-nitrophenyl)-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'-(2-methyl-5-nitrophenyl)-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'-(2-methyl-5-nitrophenyl)-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: | 8017-6922 |
| Compound Name: | 1'-(2-methyl-5-nitrophenyl)-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: | 491.51 |
| Molecular Formula: | C28 H21 N5 O4 |
| Smiles: | Cc1ccc(cc1N1C2CCCC(C=2C2(C(C#N)=C1n1cccc1)C(Nc1ccccc12)=O)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6475 |
| logD: | 4.6475 |
| logSw: | -4.4857 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.878 |
| InChI Key: | XBGQDOPNSFSHRW-MUUNZHRXSA-N |